N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(cyclopropylamino)acetamide

• ChemBase ID: 849189
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: N(C(=O)CNC1CC1)[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)CNC1CC1
• InChI: InChI=1S/C17H24N2O2/c20-17(11-18-14-9-10-14)19-15-7-4-8-16(15)21-12-13-5-2-1-3-6-13/h1-3,5-6,14-16,18H,4,7-12H2,(H,19,20)/t15-,16-/m1/s1
• InChIKey: MQBZSMDIIKCLFH-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(cyclopropylamino)acetamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-2-(cyclopropylamino)acetamide
• Synonyms: N~1~-[(1R,2R)-2-(benzyloxy)cyclopentyl]-N~2~-cyclopropylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.41658
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0293461
• LogD (pH = 7.4): 0.6243045
• Log P: 1.8148007
• Molar Refractivity: 81.8466 cm^3
• Polarizability: 32.54995 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.46
• LOG S: -2.55
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7