Molecule ID: 219

IUPAC Name: 2-amino-3-oxobutanoic acid

Description: The molecule is an alpha-amino acid that is acetoacetic acid which is substituted by an amino group at position 2. It is a 3-oxo monocarboxylic acid and a non-proteinogenic alpha-amino acid. It derives from a butyric acid.

SMILES: CC(=O)C(N)C(=O)O

SELFIES: [C][C][=Branch1][C][=O][C][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -3.4