Molecule ID: 3587356

IUPAC Name: 3-methylbutanoate

Description: The molecule is a branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle. It has a role as a mammalian metabolite and a plant metabolite. It is a short-chain fatty acid anion, a branched-chain saturated fatty acid anion and a 3-methyl fatty acid anion. It is a conjugate base of an isovaleric acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 1.8