ethyl (5's,7's)-5',7'-diethyl-6'-oxo-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.13,7]decane]-2-carboxylate

• ChemBase编号: 218286
• 分子式: C19H30N2O3
• 平均质量: 334.4531
• 单一同位素质量: 334.22564283
• SMILES: C12(N3C[C@@]4(C(=O)[C@](C3)(CN1C4)CC)CC)C(C(=O)OCC)CCC2
• Canonical SMILES: CCOC(=O)C1CCCC21N1C[C@]3(CN2C[C@@](C1)(C3=O)CC)CC
• InChI: InChI=1S/C19H30N2O3/c1-4-17-10-20-12-18(5-2,16(17)23)13-21(11-17)19(20)9-7-8-14(19)15(22)24-6-3/h14H,4-13H2,1-3H3/t14?,17-,18+,19?
• InChIKey: QOLACMJGMSLIRG-KOCGSPDRSA-N

名称和登记号

名称

• IUPAC标准名: ethyl (5's,7's)-5',7'-diethyl-6'-oxo-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-2-carboxylate
• IUPAC传统名: ethyl (5'R,7'S)-5',7'-diethyl-6'-oxo-1',3'-diazaspiro[cyclopentane-1,2'-tricyclo[3.3.1.1^3,^7]decane]-2-carboxylate

登记号

• PubChem SID: 164274196
• PubChem CID: 16408259

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7461708
• LogD (pH = 7.4): 3.1167152
• Log P: 3.2623
• 摩尔折射率: 92.1646 cm^3
• 极化性: 36.703957 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds