Molecule ID: 6950480

IUPAC Name: (2S)-2-methylbutanoate

Description: The molecule is a branched-chain saturated fatty acid anion resulting from the deprotonation of the carboxy group of (S)-2-methylbutanoic acid. The major species at pH 7.3. It is a short-chain fatty acid anion, a branched-chain saturated fatty acid anion and a 2-methyl fatty acid anion. It is a conjugate base of a (S)-2-methylbutyric acid.

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

SELFIES: [C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1/t4-/m0/s1

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