(1R,5S,6R)-3-cyclopentyl-N-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

• ChemBase ID: 536177
• Molecular Formular: C14H24N2O2
• Molecular Mass: 252.35256
• Monoisotopic Mass: 252.18377802
• SMILES: [C@@H]12[C@@H]([C@H]1C(=O)NCCOC)CN(C2)C1CCCC1
• Canonical SMILES: COCCNC(=O)[C@@H]1[C@@H]2[C@H]1CN(C2)C1CCCC1
• InChI: InChI=1S/C14H24N2O2/c1-18-7-6-15-14(17)13-11-8-16(9-12(11)13)10-4-2-3-5-10/h10-13H,2-9H2,1H3,(H,15,17)/t11-,12+,13+
• InChIKey: WNOZIECLFMDBSI-ITGUQSILSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S,6R)-3-cyclopentyl-N-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
• IUPAC Traditional name: (1R,5S,6R)-3-cyclopentyl-N-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
• Synonyms: (1R*,5S*,6r)-3-cyclopentyl-N-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.48
• LOG S: -1.45
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 1
• LogD (pH = 5.5): -3.1310327
• LogD (pH = 7.4): -2.8314075
• Log P: 0.36482233
• Molar Refractivity: 70.4846 cm^3
• Polarizability: 27.759907 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.872258
• H Acceptors: 3