Molecule ID: 165337

IUPAC Name: 2-methylpropanoate

Description: The molecule is a branched, short-chain, saturated fatty acid anion; the conjugate base of isobutyric acid, formed by deprotonation of the carboxylic acid group. It has a role as a plant metabolite and a human metabolite. It is a branched-chain saturated fatty acid anion and a fatty acid anion 4:0. It derives from a propionate. It is a conjugate base of an isobutyric acid.

SMILES: CC(C)C(=O)[O-]

SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][O-1]

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

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 1.5