Molecule ID: 423

IUPAC Name: 2-amino-4-oxopentanoic acid

Description: The molecule is a derivative of valeric acid having amino and oxo substituents at the 2- and 4-positions respectively. It is a 4-oxo monocarboxylic acid and a non-proteinogenic alpha-amino acid. It derives from a valeric acid. It is a tautomer of a 2-amino-4-oxopentanoic acid zwitterion.

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

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

InChI: InChI=1S/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -3.7