methyl 1-(benzyloxy)-8-(cyclopropylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

• ChemBase ID: 322301
• Molecular Formular: C21H28N2O4
• Molecular Mass: 372.45802
• Monoisotopic Mass: 372.20490739
• SMILES: C12(N(C(=O)CC1C(=O)OC)OCc1ccccc1)CCN(CC2)CC1CC1
• Canonical SMILES: COC(=O)C1CC(=O)N(C21CCN(CC2)CC1CC1)OCc1ccccc1
• InChI: InChI=1S/C21H28N2O4/c1-26-20(25)18-13-19(24)23(27-15-17-5-3-2-4-6-17)21(18)9-11-22(12-10-21)14-16-7-8-16/h2-6,16,18H,7-15H2,1H3
• InChIKey: ZYELGXARJKNGEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(benzyloxy)-8-(cyclopropylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• IUPAC Traditional name: methyl 1-(benzyloxy)-8-(cyclopropylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
• Synonyms: methyl 1-(benzyloxy)-8-(cyclopropylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.857113
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4172283
• LogD (pH = 7.4): 0.1837871
• Log P: 1.7753409
• Molar Refractivity: 101.2551 cm^3
• Polarizability: 39.96387 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.42
• LOG S: -3.98
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7