2-amino-3-cyclopentylpropanoic acid hydrochloride

• ChemBase ID: 245397
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(C(CC1CCCC1)N)O.Cl
• Canonical SMILES: NC(C(=O)O)CC1CCCC1.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c9-7(8(10)11)5-6-3-1-2-4-6;/h6-7H,1-5,9H2,(H,10,11);1H
• InChIKey: FKPHZGUSFQMRRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-cyclopentylpropanoic acid hydrochloride
• IUPAC Traditional name: 2-amino-3-cyclopentylpropanoic acid hydrochloride
• Synonyms: 2-amino-3-cyclopentylpropanoic acid hydrochloride

Database IDs

• MDL Number: MFCD23144056
• PubChem SID: 164301307
• PubChem CID: 71757704

CALCULATED PROPERTIES

• Acid pKa: 2.668427
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.161299
• LogD (pH = 7.4): -1.1638508
• Log P: -1.161021
• Molar Refractivity: 41.5707 cm^3
• Polarizability: 16.785397 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -1.033

Product Information

• Purity: 95%