2-{[(benzyloxy)carbonyl]amino}acetic acid

• ChemBase编号: 102116
• 分子式: C10H11NO4
• 平均质量: 209.19864
• 单一同位素质量: 209.06880784
• SMILES: OC(=O)CNC(=O)OCc1ccccc1
• Canonical SMILES: O=C(NCC(=O)O)OCc1ccccc1
• InChI: InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
• InChIKey: CJUMAFVKTCBCJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[(benzyloxy)carbonyl]amino}acetic acid
• IUPAC传统名: (cbz)gly
• 别名: Z-甘氨酸; N-苄氧羰基甘氨酸; N-[(Phenylmethoxy)carbonyl]glycine; N-Carboxyglycine N-Benzyl Ester; N-Gly-OH; (Carbobenzoxy)glycine; (Carbobenzyloxy)glycine; 2-(Benzyloxycarbonylamino)acetic Acid; Benzyloxycarbonylglycine; N-(Benzyloxycarbonyl)glycine; N-Cbz-glycine; N-(Carbobenzoxy)glycine; N-(Carbobenzyloxy)glycine; N-(α-Carbobenzoxy)glycine; NSC 2526; Nα-(Benzyloxycarbonyl)glycine; [[(Benzyloxy)carbonyl]amino]acetic Acid; N-Carbobenzoxyglycine; CARBOBENZOXYGLYCINE; Z-Gly-OH; Z-Glycine; N-Carbobenzoxy-Glycine; N-CBZ-GLYCINE; N-(Cbz)glycine; Z-Gly-OH; N-Benzyloxycarbonylglycine

登记号

• CAS号: 1138-80-3
• EC号: 214-516-0
• MDL号: MFCD00002691
• Beilstein号: 526877
• PubChem SID: 24892944; 162089578
• PubChem CID: 14349

理论计算性质

• Acid pKa: 3.7042067
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.7796073
• LogD (pH = 7.4): -2.2886384
• Log P: 1.0151353
• 摩尔折射率: 51.6834 cm^3
• 极化性: 20.174665 Å^3
• 极化表面积: 75.63 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: methanol: soluble0.1 g/mL, clear
• 熔点: 118-122 °C; 118-122 °C(lit.); 119-122°C; 120-122°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: MB9129000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: R:22
• 安全公开号: S:36/37/39
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (T); 98%; 98+%; 99%
• 级别: purum
• 燃烧残渣: ≤0.05%
• 线性分子式: C6H5CH2OOCNHCH2COOH

详细说明

MP Biomedicals - 05212769

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100216

Crystalline

Sigma Aldrich - C7206

包装
25, 100, 500 g in poly bottle

Toronto Research Chemicals - C175995

N-Carbobenzoxyglycine is used in the dipeptide synthesis.

参考文献

• Hans, D., et al.: Med. Chem., 2, 627 (2006)
• Guzman, F., et al.: J. Biotechnol., 10, 279 (2006)
• Vlieghe, P., et al.: Drug Discov. Today, 15, 40 (2006)