Molecule ID: 129297

IUPAC Name: (4S)-4-amino-5-oxopentanoic acid

Description: The molecule is a 5-oxo monocarboxylic acid that is 5-oxopentanoic acid substituted by an amino group at position 4 (the 4S-stereoisomer). It has a role as an Escherichia coli metabolite. It is a gamma-amino acid, a 5-oxo monocarboxylic acid and a glutamic semialdehyde. It derives from a valeric acid. It is a conjugate acid of a (S)-4-amino-5-oxopentanoate. It is a tautomer of a (S)-4-amino-5-oxopentanoic acid zwitterion.

SMILES: N[C@H](C=O)CCC(=O)O

SELFIES: [N][C@H1][Branch1][Ring1][C][=O][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: -3.6