Molecule ID: 11684

IUPAC Name: 2,2-dimethylbutanoic acid

Description: The molecule is a branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies. It has a role as a metabolite.

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

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

InChI: InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.5