cyclopentyl (2S)-2-aminopropanoate hydrochloride

• ChemBase ID: 285519
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(OC1CCCC1)[C@@H](N)C.Cl
• Canonical SMILES: C[C@@H](C(=O)OC1CCCC1)N.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-6(9)8(10)11-7-4-2-3-5-7;/h6-7H,2-5,9H2,1H3;1H/t6-;/m0./s1
• InChIKey: QGLPWWNULTZBHA-RGMNGODLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl (2S)-2-aminopropanoate hydrochloride
• IUPAC Traditional name: cyclopentyl (2S)-2-aminopropanoate hydrochloride
• Synonyms: cyclopentyl (2S)-2-aminopropanoate hydrochloride

Database IDs

• MDL Number: MFCD18252733
• PubChem SID: 180671050
• PubChem CID: 44227190

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.89651746
• LogD (pH = 7.4): 0.6505944
• Log P: 0.9218846
• Molar Refractivity: 41.6796 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91 - 93°C
• Hydrophobicity(logP): 1.033

Product Information

• Purity: 95%