Molecule ID: 8314

IUPAC Name: 2-methylbutanoic acid

Description: The molecule is a methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. It has a role as a bacterial metabolite and a human metabolite. It is a conjugate acid of a 2-methylbutyrate.

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

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

InChI: InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.2