cyclopentyl (2S)-2-amino-3-phenylpropanoate hydrochloride

• ChemBase ID: 240560
• Molecular Formular: C14H20ClNO2
• Molecular Mass: 269.7671
• Monoisotopic Mass: 269.11825657
• SMILES: C(=O)(OC1CCCC1)[C@H](Cc1ccccc1)N.Cl
• Canonical SMILES: N[C@H](C(=O)OC1CCCC1)Cc1ccccc1.Cl
• InChI: InChI=1S/C14H19NO2.ClH/c15-13(10-11-6-2-1-3-7-11)14(16)17-12-8-4-5-9-12;/h1-3,6-7,12-13H,4-5,8-10,15H2;1H/t13-;/m0./s1
• InChIKey: QWSZAZFVAIBABP-ZOWNYOTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl (2S)-2-amino-3-phenylpropanoate hydrochloride
• IUPAC Traditional name: cyclopentyl (2S)-2-amino-3-phenylpropanoate hydrochloride
• Synonyms: cyclopentyl (2S)-2-amino-3-phenylpropanoate hydrochloride

Database IDs

• MDL Number: MFCD18252735
• PubChem SID: 164296470
• PubChem CID: 71756580

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1095743
• LogD (pH = 7.4): 2.442334
• Log P: 2.578211
• Molar Refractivity: 66.2986 cm^3
• Polarizability: 26.623577 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 2.451

Product Information

• Purity: 95%