methyl 2-({1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl}amino)acetate

• ChemBase ID: 488543
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C1(=O)N(C2(CC1c1ccccc1)CCN(C(=O)NCC(=O)OC)CC2)C
• Canonical SMILES: COC(=O)CNC(=O)N1CCC2(CC1)CC(C(=O)N2C)c1ccccc1
• InChI: InChI=1S/C19H25N3O4/c1-21-17(24)15(14-6-4-3-5-7-14)12-19(21)8-10-22(11-9-19)18(25)20-13-16(23)26-2/h3-7,15H,8-13H2,1-2H3,(H,20,25)
• InChIKey: UJBMDLRBCQIUSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-({1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonyl}amino)acetate
• IUPAC Traditional name: methyl 2-{1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carbonylamino}acetate
• Synonyms: methyl N-[(1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]dec-8-yl)carbonyl]glycinate

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.712184
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.012333981
• LogD (pH = 7.4): 0.012334073
• Log P: 0.012334093
• Molar Refractivity: 95.8631 cm^3
• Polarizability: 37.166832 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.45
• LOG S: -3.06
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4