Molecule ID: 124

IUPAC Name: 4-hydroxy-2-oxopentanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid and a 4-hydroxy monocarboxylic acid. It has a role as an Escherichia coli metabolite. It derives from a valeric acid. It is a conjugate acid of a 4-hydroxy-2-oxopentanoate.

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

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

InChI: InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.6