2-amino-2-cyclopentylacetic acid

• ChemBase ID: 293731
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: O=C(O)C(N)C1CCCC1
• Canonical SMILES: NC(C(=O)O)C1CCCC1
• InChI: InChI=1S/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)
• InChIKey: XBPKRVHTESHFAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclopentylacetic acid
• IUPAC Traditional name: cyclopentylglycine
• Synonyms: 2-Amino-2-cyclopentylacetic acid

Database IDs

• CAS Number: 933-95-9
• MDL Number: MFCD09264351
• PubChem SID: 180679262
• PubChem CID: 224366

CALCULATED PROPERTIES

• Acid pKa: 2.600835
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5281188
• LogD (pH = 7.4): -1.530323
• Log P: -1.5278814
• Molar Refractivity: 36.8927 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%