Molecule ID: 189028

IUPAC Name: 2-methyl-3-oxopentanoic acid

Description: The molecule is a 3-oxo monocarboxylic acid that is valeric acid substituted by a methyl group at position 2 and a keto group at position 3. It has a role as a human metabolite. It derives from a valeric acid.

SMILES: CCC(=O)C(C)C(=O)O

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

InChI: InChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.7