2-cyclopentyl-2-hydroxyacetic acid

• ChemBase ID: 274145
• Molecular Formular: C7H12O3
• Molecular Mass: 144.16838
• Monoisotopic Mass: 144.07864424
• SMILES: C(=O)(C(C1CCCC1)O)O
• Canonical SMILES: OC(C(=O)O)C1CCCC1
• InChI: InChI=1S/C7H12O3/c8-6(7(9)10)5-3-1-2-4-5/h5-6,8H,1-4H2,(H,9,10)
• InChIKey: WHZPPIIMQBJUHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-2-hydroxyacetic acid
• IUPAC Traditional name: cyclopentyl(hydroxy)acetic acid
• Synonyms: 2-cyclopentyl-2-hydroxyacetic acid

Database IDs

• MDL Number: MFCD16669022
• PubChem SID: 164330055
• PubChem CID: 22312692

CALCULATED PROPERTIES

• Acid pKa: 4.0997066
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.57294583
• LogD (pH = 7.4): -2.2580466
• Log P: 0.84107715
• Molar Refractivity: 35.2352 cm^3
• Polarizability: 14.09045 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.828

Product Information

• Purity: 95%