methyl (2S)-2-(propan-2-ylamino)propanoate
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Basic information
- CAS
207916-92-5- Standard SMILES
COC(=O)[C@H](C)NC(C)C- InChIKey
LSZJHXHDMLYQFO-LURJTMIESA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-2-(propan-2-ylamino)propanoate
- IUPAC
- methyl (2S)-2-(propan-2-ylamino)propanoate
- English name
- L-Alanine, N-(1-methylethyl)-, methyl ester (9CI)
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
SCHEMBL784180L-Alanine, N-(1-methylethyl)-, methyl esterL-Alanine, N-(1-methylethyl)-, methyl ester (9CI)
Database identifiers
- CAS
207916-92-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 168.5 · 168.5±23.0 °C(Predicted)
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
- pka
- 7.47 · 7.47±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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