4-hydroxypiperidine-4-carboxylic acid

• ChemBase编号: 310534
• 分子式: C6H11NO3
• 平均质量: 145.15644
• 单一同位素质量: 145.07389322
• SMILES: C(=O)(C1(CCNCC1)O)O
• Canonical SMILES: OC(=O)C1(O)CCNCC1
• InChI: InChI=1S/C6H11NO3/c8-5(9)6(10)1-3-7-4-2-6/h7,10H,1-4H2,(H,8,9)
• InChIKey: FKKPSFIMIQSISK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydroxypiperidine-4-carboxylic acid
• IUPAC传统名: 4-hydroxypiperidine-4-carboxylic acid
• 别名: 4-hydroxy-4-piperidinecarboxylic acid

登记号

• CAS号: 50289-06-0
• MDL号: MFCD00956083

理论计算性质

• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -3.6443655
• LogD (pH = 7.4): -3.6417656
• Log P: -3.6408682
• 摩尔折射率: 34.5421 cm^3
• 极化性: 13.797867 Å^3
• 极化表面积: 69.56 Å^2