2-amino-2-cyclopentylacetic acid hydrochloride

• ChemBase ID: 269365
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C(=O)(C(C1CCCC1)N)O.Cl
• Canonical SMILES: NC(C(=O)O)C1CCCC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c8-6(7(9)10)5-3-1-2-4-5;/h5-6H,1-4,8H2,(H,9,10);1H
• InChIKey: GMNHAZOKLXWGPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclopentylacetic acid hydrochloride
• IUPAC Traditional name: cyclopentylglycine hydrochloride
• Synonyms: 2-amino-2-cyclopentylacetic acid hydrochloride

Database IDs

• MDL Number: MFCD16817562
• PubChem SID: 164325275
• PubChem CID: 18926642

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

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): -1.652

Product Information

• Purity: 95%