Formula of Fmoc-1-piperidine-3-acetic acid (C22H23NO4)
Identification of Fmoc-1-piperidine-3-acetic acid Chemical Compound
| Chemical Formula | C22H23NO4 |
|---|---|
| Molecular Weight | 365.42232 g/mol |
| IUPAC Name | 2-{1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidin-3-yl}acetic acid |
| SMILES String | OC(=O)CC1CCCN(C1)C(=O)OCC3c2ccccc2c4ccccc34 |
| InChI | InChI=1S/C22H23NO4/c24-21(25)12-15-6-5-11-23(13-15)22(26)27-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25) |
| InChIKey | JFQZUENRKJILBT-UHFFFAOYSA-N |
Chemical Formula Description
The Fmoc-1-piperidine-3-acetic acid molecule contains a total of 50 atom(s). There are 23 Hydrogen atom(s), 22 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s). A chemical formula of Fmoc-1-piperidine-3-acetic acid can therefore be written as:
C22H23NO4
The chemical formula of Fmoc-1-piperidine-3-acetic acid 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Fmoc-1-piperidine-3-acetic acid Molecule
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Structure Data File (SDF/MOL File) of Fmoc-1-piperidine-3-acetic acid
The structure data file (SDF/MOL File) of Fmoc-1-piperidine-3-acetic acid is available for download in the SDF page of Fmoc-1-piperidine-3-acetic acid providing the information about the atoms, bonds, connectivity and coordinates of Fmoc-1-piperidine-3-acetic acid, which is not completely available in the chemical formula representation. The Fmoc-1-piperidine-3-acetic acid structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Fmoc-1-piperidine-3-acetic acid
The chemical structure image of Fmoc-1-piperidine-3-acetic acid is available in chemical structure page of Fmoc-1-piperidine-3-acetic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Fmoc-1-piperidine-3-acetic acid and the chemical bonds that hold the atoms together.
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Molecular weight of Fmoc-1-piperidine-3-acetic acid
The molecular weight of Fmoc-1-piperidine-3-acetic acid is available in molecular weight page of Fmoc-1-piperidine-3-acetic acid, 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 Fmoc-1-piperidine-3-acetic acid.
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InChI (IUPAC International Chemical Identifier) information of Fmoc-1-piperidine-3-acetic acid
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Fmoc-1-piperidine-3-acetic acid is:
InChI=1S/C22H23NO4/c24-21(25)12-15-6-5-11-23(13-15)22(26)27-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25)
It can provide a standard way to encode the molecular information of Fmoc-1-piperidine-3-acetic acid 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 Fmoc-1-piperidine-3-acetic acid is:
InChIKey=JFQZUENRKJILBT-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Fmoc-1-piperidine-3-acetic acid, but it needs to be linked to the full InChI to get back to the original structure of the Fmoc-1-piperidine-3-acetic acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Fmoc-1-piperidine-3-acetic acid
The Fmoc-1-piperidine-3-acetic acid compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Fmoc-1-piperidine-3-acetic acid including the registry numbers is given below, if available:
- 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]acetic acid
- Fmoc-1-piperidine-3-acetic acid, AldrichCPR
- 1876AF
- {1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidin-3-yl}acetic acid
- N-FMOC-3-PIPERIDINEACETIC ACID
- 885951-96-2
- Fmoc-1-piperidine-3-acetic acid
Fmoc-1-piperidine-3-acetic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Fmoc-1-piperidine-3-acetic acid? |
|---|
| C22H23NO4 |
| How many atoms and what are they in the Fmoc-1-piperidine-3-acetic acid structure? |
| 50 atom(s) - 23 Hydrogen atom(s), 22 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what are they in the Fmoc-1-piperidine-3-acetic acid structure? |
| 53 bond(s) - 30 non-H bond(s), 14 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 2 nine-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 (thio-) carbamate(s) (aliphatic), and 1 hydroxyl group(s) |
| What’s the molecular weight of Fmoc-1-piperidine-3-acetic acid? |
| 365.42232 g/mol |
| What’s the SMILES string of Fmoc-1-piperidine-3-acetic acid? |
| OC(=O)CC1CCCN(C1)C(=O)OCC3c2ccccc2c4ccccc34 |
| What’s the InChI of Fmoc-1-piperidine-3-acetic acid? |
| InChI=1S/C22H23NO4/c24-21(25)12-15-6-5-11-23(13-15)22(26)27-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25) |
| What’s the InChIKey of Fmoc-1-piperidine-3-acetic acid? |
| JFQZUENRKJILBT-UHFFFAOYSA-N |
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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).