(2S)-2-amino-2-cyclopentylacetic acid

• ChemBase ID: 165241
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C1CC(CC1)[C@H](N)C(=O)O
• 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-/m0/s1
• InChIKey: XBPKRVHTESHFAA-LURJTMIESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-2-cyclopentylacetic acid
• IUPAC Traditional name: (S)-amino(cyclopentyl)acetic acid
• Synonyms: (αS)-α-Aminocyclopentaneacetic Acid; (S)-α-Aminocyclopentaneacetic Acid; L-α-Aminocyclopentaneacetic Acid; L-Cyclopentylglycine; 2-Cyclopentyl-L-glycine; L-Cyclopentylglycine

Database IDs

• CAS Number: 2521-84-8
• MDL Number: MFCD03788076
• PubChem SID: 162259374
• PubChem CID: 10374564

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+%

DETAILS

Toronto Research Chemicals - C988515

2-Cyclopentyl-L-glycine is used in the preparation and resolution of cyclopentaneglycine.