(2R)-2-amino-2-cyclopentylacetic acid

• ChemBase ID: 293581
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: O=C(O)[C@H](N)C1CCCC1
• Canonical SMILES: N[C@@H](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)/t6-/m1/s1
• InChIKey: XBPKRVHTESHFAA-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-2-cyclopentylacetic acid
• IUPAC Traditional name: (R)-amino(cyclopentyl)acetic acid
• Synonyms: (R)-2-Amino-2-cyclopentylacetic acid

Database IDs

• CAS Number: 2521-86-0
• MDL Number: MFCD03788075
• PubChem SID: 180679112
• PubChem CID: 10351805

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+%