2-(cyclopentylamino)acetic acid

• ChemBase ID: 260269
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: C(=O)(CNC1CCCC1)O
• Canonical SMILES: OC(=O)CNC1CCCC1
• InChI: InChI=1S/C7H13NO2/c9-7(10)5-8-6-3-1-2-4-6/h6,8H,1-5H2,(H,9,10)
• InChIKey: LRHRHAWNXCGABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentylamino)acetic acid
• IUPAC Traditional name: cyclopentylglycine
• Synonyms: 2-(cyclopentylamino)acetic acid

Database IDs

• MDL Number: MFCD08442382
• PubChem SID: 164316179
• PubChem CID: 314101

CALCULATED PROPERTIES

• Acid pKa: 2.195097
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8317523
• LogD (pH = 7.4): -1.8317826
• Log P: -1.8316358
• Molar Refractivity: 37.1912 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): -1.652

Product Information

• Purity: 95%