Formula of L-alanine (C3H7NO2)
Identification of L-alanine Chemical Compound
Chemical Formula | C3H7NO2 |
---|---|
Molecular Weight | 89.09318 g/mol |
IUPAC Name | (2S)-2-aminopropanoic acid |
SMILES String | CC(N)C(O)=O |
InChI | InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
InChIKey | QNAYBMKLOCPYGJ-REOHCLBHSA-N |
Chemical Formula Description
The L-alanine molecule contains a total of 13 atom(s). There are 7 Hydrogen atom(s), 3 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s). A chemical formula of L-alanine can therefore be written as:
C3H7NO2
The chemical formula of L-alanine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
chemical table area
Search Another Formula
Enter another compound to search for formula:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying L-alanine Molecule
-
Structure Data File (SDF/MOL File) of L-alanine
The structure data file (SDF/MOL File) of L-alanine is available for download in the SDF page of L-alanine providing the information about the atoms, bonds, connectivity and coordinates of L-alanine, which is not completely available in the chemical formula representation. The L-alanine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
-
Chemical structure of L-alanine
The chemical structure image of L-alanine is available in chemical structure page of L-alanine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of L-alanine and the chemical bonds that hold the atoms together.
-
Molecular weight of L-alanine
The molecular weight of L-alanine is available in molecular weight page of L-alanine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of L-alanine.
-
InChI (IUPAC International Chemical Identifier) information of L-alanine
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of L-alanine is:
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
It can provide a standard way to encode the molecular information of L-alanine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of L-alanine is:
InChIKey=QNAYBMKLOCPYGJ-REOHCLBHSA-N
The InChIKey may allow easier web searches for L-alanine, but it needs to be linked to the full InChI to get back to the original structure of the L-alanine since the full standard InChI cannot be reconstructed from the InChIKey.
-
Other names (synonyms) or registry numbers of L-alanine
The L-alanine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of L-alanine including the registry numbers is given below, if available:
- T7107093
- EN300-52621
- BBV-38372414
- ZX-AFC000752
- L-Alanine (JP16)
- L-Alanine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=98.5%
- L-Alanine, Ajinomoto, EP, JP, USP, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture
- 77160-91-9
- L-Alanine, pharmaceutical secondary standard; traceable to USP and PhEur
- L-Alanine, United States Pharmacopeia (USP) Reference Standard
- Z940713326
- F0001-2354
- Alanine, European Pharmacopoeia (EP) Reference Standard
- 3B1-008007
- L-Alanine, certified reference material, TraceCERT(R)
- (S)-2-Aminopropionic acid; L-|A-Aminopropionic acid
- SR-01000597687-3
- Q-201274
- J-015860
- A803529
- M-5982
- PROPOXY, 2-AMINO-1-OXO-, (2S)-
- ETHYL, 2-AMINO-2-CARBOXY-, (S)-
- L-Alanine, SAJ special grade, >=99.0%
- L-Alanine, BioUltra, >=99.5% (NT)
- 26336-61-8
- L-Alanine, purum, >=98.0% (NT)
- RTC-066531
- L-(-)-2-AMINOPROPANOIC ACID
- BDBM50000099
- ANW-32509
- L-Alanine, >=99.0% (NT)
- L-Alanine, 99%, natural, FG
- L-Alanine, >=98% (TLC)
- L-Alanine, Cell Culture Reagent
- L-ALANINE DEXTRO-ROTATORY
- HMDB00161
- GTPL4543
- GTPL4542
- (2S)-2-azanylpropanoic acid
- (S)-2-amino-Propanoic acid
- GTPL720
- OF5P57N2ZX
- L-CH3CH(NH2)COOH
- bmse000994
- L-Alanine, >=99%
- H-L-ALA-OH
- L-|A-Aminopropionic acid
- (S)-2-amino-Propanoate
- L-ALA-OH
- alpha-Aminopropanoic acid
- nchembio.145-comp31
- (S)-2-Aminopropanoate
- L-Alanine (JP17)
- ALA-OH
- 2-Ammoniopropanoic acid
- L-alpha-Aminopropionate
- nchembio.255-comp3
- nchembio.237-comp9
- [14C]-alanine
- nchem.554-comp3
- L-Alanine (JAN)
- nchembio816-comp4
- L-2-Aminopropionate
- L-2-Aminopropanoate
- AR-1J2938
- alpha-Aminopropionate
- alpha-Aminopropanoate
- [3H]-alanine
- [14C]alanine
- L-Ala
- L-a-Aminopropionate
- [3H]alanine
- a-Aminopropionate
- alanine,
- Ritalanine
- L-.alpha.-Aminopropionic acid
- .alpha.-Aminopropionic acid
- L-ALANINE U.S.P.
- Propanoic acid, 2-amino-
- 2-Ammoniopropanoate
- 2-Aminopropionate
- 787635-21-6
- 759445-89-1
- 170805-71-7
- L-.alpha.-Alanine
- F4F207FF-8FF8-4789-99A1-147AE0A36673
- .alpha.-Alanine
- I04-1136
- 6898-94-8
- 25191-17-7
- 18875-37-1
- 130380-93-7
- 115967-49-2
- D00012
- A0179
- LPG
- MFCD00064410
- Propanoic acid, 2-amino-, (S)
- L-Alanine, labeled with tritium
- Alanine, L- (7CI,8CI)
- bmse000028
- L-Alanine, labeled with carbon-14
- Tocris-0205
- L-Alanine, N-coco alkyl derivs.
- L-Alanine, homopolymer
- (S)-()-Alanine
- L-Alanine (9CI)
- AmbotzHAA1066
- Alanine (USP)
- L-&alpha-alanine
- (C14)L-Alanine
- a-Aminopropionic acid
- 14C-L-Alanine
- (S)-2-Aminopropionic acid
- L-a-Alanine
- L-Alanin
- Poly-DL-alanine
- L-a-Aminopropionic acid
- Propanoic acid, 2-amino-, (S)-
- Alanine [USAN:INN]
- ALA
- a-Alanine
- Alaninum
- polyalanine
- alanina
- Alanina [DCIT,Spanish]
- (S)-alpha-Aminopropionsaeure
- Poly-L-alanine
- (S)-2-Aminopropionsaeure
- ALANINE, L-
- alpha-Alanine
- Alanine (VAN)
- (L)-Alanine
- L-S-Aminopropionic acid
- (S)-(+)-Alanine
- Alaninum [Latin]
- 2-Aminopropanoic acid, L-
- L-2-Aminopropionsaeure
- alpha-Aminopropionic acid
- L-alpha-Aminopropionic acid
- 2-Aminopropionic acid
- L-2-Aminopropanoic acid
- H-Ala-OH
- L-(+)-Alanine
- L-2-Aminopropionic acid
- L-alpha-alanine
- alanine
- (S)-2-Aminopropanoic acid
- (S)-Alanine
- 56-41-7
- L-alanine
L-alanine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of L-alanine? |
---|
C3H7NO2 |
How many atoms and what are they in the L-alanine structure? |
13 atom(s) - 7 Hydrogen atom(s), 3 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what are they in the L-alanine structure? |
12 bond(s) - 5 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic), and 1 hydroxyl group(s) |
What’s the molecular weight of L-alanine? |
89.09318 g/mol |
What’s the SMILES string of L-alanine? |
CC(N)C(O)=O |
What’s the InChI of L-alanine? |
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
What’s the InChIKey of L-alanine? |
QNAYBMKLOCPYGJ-REOHCLBHSA-N |
1890
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).