3-aminocyclopentane-1-carboxylic acid hydrochloride

• ChemBase ID: 284944
• Molecular Formular: C6H12ClNO2
• Molecular Mass: 165.61798
• Monoisotopic Mass: 165.05565631
• SMILES: C(=O)(C1CC(N)CC1)O.Cl
• Canonical SMILES: NC1CCC(C1)C(=O)O.Cl
• InChI: InChI=1S/C6H11NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H
• InChIKey: YJRMNPPUVLZEIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminocyclopentane-1-carboxylic acid hydrochloride
• IUPAC Traditional name: 3-aminocyclopentane-1-carboxylic acid hydrochloride
• Synonyms: 3-aminocyclopentane-1-carboxylic acid hydrochloride

Database IDs

• MDL Number: MFCD11656836
• PubChem SID: 180670475
• PubChem CID: 42614148

CALCULATED PROPERTIES

• Acid pKa: 4.371632
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3362563
• LogD (pH = 7.4): -2.311226
• Log P: -2.311519
• Molar Refractivity: 32.5719 cm^3
• Polarizability: 13.120767 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): -2.457

Product Information

• Purity: 95%