Molecule ID: 6419726

IUPAC Name: 2-hydroxy-2-propan-2-ylbutanedioate

Description: The molecule is a dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-isopropylmalic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a 2-isopropylmalate and a dicarboxylic acid dianion. It derives from a succinate(2-). It is a conjugate base of a 2-isopropylmalic acid.

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

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

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

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 1.1