3-aminopentanedioic acid

• ChemBase编号: 155418
• 分子式: C5H9NO4
• 平均质量: 147.12926
• 单一同位素质量: 147.05315777
• SMILES: C(C(CC(=O)O)N)C(=O)O
• Canonical SMILES: NC(CC(=O)O)CC(=O)O
• InChI: InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
• InChIKey: BBJIPMIXTXKYLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-aminopentanedioic acid
• IUPAC传统名: isoglutamic acid
• 别名: β-谷氨酸; 3-Aminopentanedioic acid; β-Glutamic acid

登记号

• CAS号: 1948-48-7
• MDL号: MFCD00056698
• PubChem SID: 162249556; 24895076
• PubChem CID: 73064

理论计算性质

• Acid pKa: 3.181284
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): -4.946866
• LogD (pH = 7.4): -6.580614
• Log P: -3.7394333
• 摩尔折射率: 31.157 cm^3
• 极化性: 12.69048 Å^3
• 极化表面积: 100.62 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• Empirical Formula (Hill Notation): C5H9NO4

详细说明

Sigma Aldrich - G1763

Biochem/physiol Actions
β-Glutamic acid (β-Glu) is used as an osmolyte in many archaea. β-Glutamic acid may be used as a substrate to study the specificity and kinetics of archaeal and bacterial glutamine synthetase (GS) enzymes. β-Glutamic acid is used to study primitive mechanisms of polypeptide formation.