1-[(tert-butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-carboxylic acid

• ChemBase编号: 53458
• 分子式: C26H30N2O6
• 平均质量: 466.5262
• 单一同位素质量: 466.21038669
• SMILES: N1(C(NC(=O)OCC2c3c(c4c2cccc4)cccc3)CC(C(=O)O)CC1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(NC1CC(CCN1C(=O)OC(C)(C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C26H30N2O6/c1-26(2,3)34-25(32)28-13-12-16(23(29)30)14-22(28)27-24(31)33-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21-22H,12-15H2,1-3H3,(H,27,31)(H,29,30)
• InChIKey: IOLBCFZNMMGGCA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(tert-butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-carboxylic acid
• IUPAC传统名: 1-(tert-butoxycarbonyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-carboxylic acid
• 别名: 1-[(tert-butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}piperidine-4-caboxylic acid; 1-[(tert-Butoxy)carbonyl]-2-{[(9H-fluoren-9-ylmeth oxy)carbonyl]amino}piperidine-4-caboxylic acid; 2-Aminopiperidine-4-carboxylic acid, N1-BOC 2-FMOC protected 95+%; 1-(tert-Butoxycarbonyl)-2-{[(9H-fluoren-9-yl)methoxycarbonyl]amino}piperidine-4-carboxylic acid

登记号

• MDL号: MFCD17167329
• PubChem SID: 162058221
• PubChem CID: 21874499

理论计算性质

• Acid pKa: 4.1296926
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.70221
• LogD (pH = 7.4): 1.007607
• Log P: 4.0876465
• 摩尔折射率: 124.948 cm^3
• 极化性: 49.90869 Å^3
• 极化表面积: 105.17 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Harmful/Irritant; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: >95%