ethyl 2-{[(1R)-1-phenylethyl]amino}cyclopentane-1-carboxylate hydrochloride

• ChemBase ID: 796511
• Molecular Formular: C16H24ClNO2
• Molecular Mass: 297.82026
• Monoisotopic Mass: 297.14955669
• SMILES: Cl.C1(C(CCC1)N[C@H](C)c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CCCC1N[C@@H](c1ccccc1)C.Cl
• InChI: InChI=1S/C16H23NO2.ClH/c1-3-19-16(18)14-10-7-11-15(14)17-12(2)13-8-5-4-6-9-13;/h4-6,8-9,12,14-15,17H,3,7,10-11H2,1-2H3;1H/t12-,14?,15?;/m1./s1
• InChIKey: CQPRDUSUUBNWRP-DCEPCQMQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{[(1R)-1-phenylethyl]amino}cyclopentane-1-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 2-{[(1R)-1-phenylethyl]amino}cyclopentane-1-carboxylate hydrochloride
• Synonyms: (1R,2R)-Ethyl 2-(((R)-1-phenylethyl)aMino)cyclopentanecarboxylate hydrochloride

Database IDs

• CAS Number: 163877-11-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.024944099
• LogD (pH = 7.4): 1.1856159
• Log P: 3.1842256
• Molar Refractivity: 75.7416 cm^3
• Polarizability: 30.309166 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%