tert-butyl (1R,3R,5S)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate

• ChemBase编号: 310141
• 分子式: C15H26N2O3
• 平均质量: 282.37854
• 单一同位素质量: 282.1943427
• SMILES: C(=O)(N1[C@@H]2C[C@]3(C[C@H]1CC2)OCCNC3)OC(C)(C)C
• Canonical SMILES: O=C(N1[C@@H]2CC[C@H]1C[C@@]1(C2)CNCCO1)OC(C)(C)C
• InChI: InChI=1S/C15H26N2O3/c1-14(2,3)20-13(18)17-11-4-5-12(17)9-15(8-11)10-16-6-7-19-15/h11-12,16H,4-10H2,1-3H3/t11-,12+,15+
• InChIKey: SWXVOKDTXKRXKI-JYAVWHMHSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl (1R,3R,5S)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
• IUPAC传统名: tert-butyl (1R,3R,5S)-8-azaspiro[bicyclo[3.2.1]octane-3,2'-morpholine]-8-carboxylate
• 别名: tert-butyl rac-(1R,3r,5S)-8H-spiro[8-azabicyclo[3.2.1]octane-3,2'-[1,4]oxazinane]-8-carboxylate

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.8228313
• LogD (pH = 7.4): -0.14214125
• Log P: 0.9646726
• 摩尔折射率: 75.6904 cm^3
• 极化性: 30.307463 Å^3
• 极化表面积: 50.8 Å^2