(2S,4R)-4-hydroxy-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide

• ChemBase编号: 155242
• 分子式: C15H16N2O2
• 平均质量: 256.29974
• 单一同位素质量: 256.12117776
• SMILES: c1ccc2cc(ccc2c1)NC(=O)[C@@H]1C[C@H](CN1)O
• Canonical SMILES: O[C@H]1CN[C@@H](C1)C(=O)Nc1ccc2c(c1)cccc2
• InChI: InChI=1S/C15H16N2O2/c18-13-8-14(16-9-13)15(19)17-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-14,16,18H,8-9H2,(H,17,19)/t13-,14+/m1/s1
• InChIKey: RPDYJTXWIGUABB-KGLIPLIRSA-N

名称和登记号

名称

• IUPAC标准名: (2S,4R)-4-hydroxy-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide
• IUPAC传统名: (2S,4R)-4-hydroxy-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide
• 别名: (2S-trans)-4-Hydroxy-N-2-naphthalenyl-2-pyrrolidinecarboxamide; (2S,4R)-4-Hydroxy-N-2-naphthalenyl-2-pyrrolidinecarboxamide; trans 4-Hydroxy-L-proline β-Naphthylamide; HydroxyPro-betaNA; trans-4-Hydroxy-L-proline β-naphthylamide

登记号

• CAS号: 3326-64-5
• EC号: 222-045-7
• MDL号: MFCD00083632
• PubChem SID: 24895789; 162249380
• PubChem CID: 7408247

理论计算性质

• Acid pKa: 13.214035
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -1.78182
• LogD (pH = 7.4): -0.21480687
• Log P: 1.1789396
• 摩尔折射率: 74.1097 cm^3
• 极化性: 29.668043 Å^3
• 极化表面积: 61.36 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C Freezer
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 40
• 安全公开号: 22-36
• GHS危险品标识: GHS08
• GHS警示词: Warning
• GHS危险声明: H351
• GHS警示性声明: P281
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• 保存温度: -20°C

产品相关信息

• Empirical Formula (Hill Notation): C15H16N2O2

详细说明

Sigma Aldrich - H7259

Application
Trans-4-Hydroxy-L-proline β-naphthylamide (HydroxyPro-βNA) is used for colorimetric determination of bacterial peptidase(s).

Toronto Research Chemicals - H952390

Used for colorimetric determination of peptidase activity in bacteria.