(2R)-N-(carbamoylmethyl)-4-methyl-2-(piperidin-4-ylformamido)pentanamide

• ChemBase编号: 181713
• 分子式: C14H26N4O3
• 平均质量: 298.38124
• 单一同位素质量: 298.20049071
• SMILES: C(=O)(N[C@@H](C(=O)NCC(=O)N)CC(C)C)C1CCNCC1
• Canonical SMILES: CC(C[C@H](C(=O)NCC(=O)N)NC(=O)C1CCNCC1)C
• InChI: InChI=1S/C14H26N4O3/c1-9(2)7-11(14(21)17-8-12(15)19)18-13(20)10-3-5-16-6-4-10/h9-11,16H,3-8H2,1-2H3,(H2,15,19)(H,17,21)(H,18,20)/t11-/m1/s1
• InChIKey: GEIFMTUKLPJQFY-LLVKDONJSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-N-(carbamoylmethyl)-4-methyl-2-(piperidin-4-ylformamido)pentanamide
• IUPAC传统名: (2R)-N-(carbamoylmethyl)-4-methyl-2-(piperidin-4-ylformamido)pentanamide

登记号

• PubChem SID: 164237623
• PubChem CID: 7075094

理论计算性质

• Acid pKa: 12.6224785
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -4.5403657
• LogD (pH = 7.4): -3.9557714
• Log P: -1.3144026
• 摩尔折射率: 78.672 cm^3
• 极化性: 30.98594 Å^3
• 极化表面积: 113.32 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Rare Derivatives of Natural Compounds