Structure & Deep Data of Gamma-Methyl-L-leucine (C7H15NO2)
Identification of Gamma-Methyl-L-leucine Chemical Compound
Chemical Formula | C7H15NO2 |
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Molecular Weight | 145.1995 g/mol |
IUPAC Name | (2S)-2-amino-4,4-dimethylpentanoic acid |
SMILES String | CC(C)(C)CC(N)C(O)=O |
InChI | InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1 |
InChIKey | LPBSHGLDBQBSPI-YFKPBYRVSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The gamma-Methyl-L-leucine molecule contains a total of 24 bond(s). There are 9 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of gamma-Methyl-L-leucine are given below:
The 2D chemical structure image of gamma-Methyl-L-leucine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of gamma-Methyl-L-leucine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of gamma-Methyl-L-leucine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of gamma-Methyl-L-leucine. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of gamma-Methyl-L-leucine is provided here.
The gamma-Methyl-L-leucine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the gamma-Methyl-L-leucine molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of gamma-Methyl-L-leucine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Gamma-Methyl-L-leucine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of gamma-Methyl-L-leucine
The SMILES string of gamma-Methyl-L-leucine is CC(C)(C)CC(N)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the gamma-Methyl-L-leucine.
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Structure Data File (SDF/MOL File) of gamma-Methyl-L-leucine
The structure data file (SDF/MOL File) of gamma-Methyl-L-leucine is available for download in the SDF page of gamma-Methyl-L-leucine, which provides the information about the atoms, bonds, connectivity and coordinates of gamma-Methyl-L-leucine. The gamma-Methyl-L-leucine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of gamma-Methyl-L-leucine
The molecular formula of gamma-Methyl-L-leucine is available in chemical formula page of gamma-Methyl-L-leucine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of gamma-Methyl-L-leucine
The molecular weight of gamma-Methyl-L-leucine is available in molecular weight page of gamma-Methyl-L-leucine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of gamma-Methyl-L-leucine
The gamma-Methyl-L-leucine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of gamma-Methyl-L-leucine including the various registry numbers, if available:
- C-24864
- Pentanoic acid,2-amino-4,4-dimethyl-, (2S)-
- A00206
- L-alpha-Neopentylglycine, >=98.0% (TLC)
- (S)-2-amino-4,4-dimethyl-pentanoic acid
- L-2-Amino-4,4-dimethyl pentanoic acid
- 2(S)-amino-4,4-dimethylpentanoic acid
- AR-1G3640
- BETA-(T-BUTYL)-L-ALANINE
- BETA-TERT-BUTYL-L-ALANINE
- BDBM18148
- BETA-TBU-L-ALA-OH
- H-ALA(TBU)-OH
- 4-METHYL-LEUCINE
- L-Leucine, 4-methyl-
- 4-methyl-(L)-leucine
- L-|A-Neopentylglycine
- H-Tba-OH
- L-gamma-Methylleucine
- L-|A-Methylleucine
- L-Nepentylglycine
- NEOPENTYL GLYCINE
- 2-Amino-3-tert-butylpropionic acid
- H-GAMMA-ME-LEU-OH
- H-NEOPENTYLGLY-OH
- H-L-NPTGLY-OH
- Neopentylglycine
- H-BETA-TBU-ALA-OH
- 4-methylLeucine
- L-alpha-Neopentylglycine
- 4-methyl-l-leucine
- L-Neopentylglycine
- 3-tert-Butyl-L-alanine
- (S)-2-Amino-4,4-dimethylpentanoic acid
- gamma-Methylleucine
- gamma-Methyl-L-leucine
- 57224-50-7
- MFCD00066079
Gamma-Methyl-L-leucine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of gamma-Methyl-L-leucine? |
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C7H15NO2 |
How many atoms and what are the elements included the gamma-Methyl-L-leucine molecule? |
25 atom(s) - 15 Hydrogen atom(s), 7 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the gamma-Methyl-L-leucine structure? |
24 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 3 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 gamma-Methyl-L-leucine’s molecular weight? |
145.1995 g/mol |
What’s the SMILES code of gamma-Methyl-L-leucine? |
CC(C)(C)CC(N)C(O)=O |
What’s the InChI string of gamma-Methyl-L-leucine? |
InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1 |
What’s the InChIKey code of gamma-Methyl-L-leucine? |
LPBSHGLDBQBSPI-YFKPBYRVSA-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).