Molecule ID: 6590

IUPAC Name: 2-methylpropanoic acid

Description: The molecule is a branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. It has a role as a volatile oil component, a plant metabolite and a Daphnia magna metabolite. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a fatty acid 4:0. It is a conjugate acid of an isobutyrate.

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

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

InChI: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 0.8