Molecule ID: 4632710

IUPAC Name: 2-hydroxy-3-propylbutanedioic acid

Description: The molecule is a dicarboxylic acid that is malic acid in which one of the hydrogens at position 3 is substituted by a propyl group. It is a dicarboxylic acid, a 2-hydroxy carboxylic acid and a 3-hydroxy carboxylic acid. It derives from a succinic acid. It is a conjugate acid of a 3-propylmalate(2-).

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

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

InChI: InChI=1S/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 0.1