1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]cyclopropane-1-carboxamide

• ChemBase ID: 640781
• Molecular Formular: C14H22N2O4
• Molecular Mass: 282.33548
• Monoisotopic Mass: 282.15795719
• SMILES: C1(C(=O)N2CCC3([C@@H](C[C@@H]3OC)O)CC2)(CC1)C(=O)N
• Canonical SMILES: CO[C@H]1C[C@H](C21CCN(CC2)C(=O)C1(CC1)C(=O)N)O
• InChI: InChI=1S/C14H22N2O4/c1-20-10-8-9(17)13(10)4-6-16(7-5-13)12(19)14(2-3-14)11(15)18/h9-10,17H,2-8H2,1H3,(H2,15,18)/t9-,10+/m1/s1
• InChIKey: JLQLDJNUNNZXAT-ZJUUUORDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]cyclopropane-1-carboxamide
• Synonyms: 1-{[(1R*,3S*)-1-hydroxy-3-methoxy-7-azaspiro[3.5]non-7-yl]carbonyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.648628
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3353902
• LogD (pH = 7.4): -1.3353902
• Log P: -1.3353902
• Molar Refractivity: 71.402 cm^3
• Polarizability: 28.146095 Å^3
• Polar Surface Area: 92.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.97
• LOG S: -0.89
• Polar Surface Area: 92.86 Å^2
• Rotatable Bonds: 3