Molecule ID: 3121

IUPAC Name: 2-propylpentanoic acid

Description: The molecule is a branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. It has a role as an anticonvulsant, a GABA agent, an EC 3.5.1.98 (histone deacetylase) inhibitor, a teratogenic agent, a psychotropic drug, a neuroprotective agent and an antimanic drug. It is a branched-chain saturated fatty acid and a branched-chain fatty acid. It derives from a valeric acid. It is a conjugate acid of a valproate.

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

SELFIES: [C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.8