2-({2-[(1-carboxypropyl)amino]ethyl}amino)butanoic acid

• ChemBase ID: 131933
• Molecular Formular: C10H20N2O4
• Molecular Mass: 232.2768
• Monoisotopic Mass: 232.14230713
• SMILES: CCC(C(=O)O)NCCNC(CC)C(=O)O
• Canonical SMILES: CCC(C(=O)O)NCCNC(C(=O)O)CC
• InChI: InChI=1S/C10H20N2O4/c1-3-7(9(13)14)11-5-6-12-8(4-2)10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
• InChIKey: LLOPSLUNSGBASE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[(1-carboxypropyl)amino]ethyl}amino)butanoic acid
• IUPAC Traditional name: 2-({2-[(1-carboxypropyl)amino]ethyl}amino)butanoic acid
• Synonyms: EDBA; 2,2′-(Ethylenediimino)dibutyric acid; 2,2′-(乙烯基二亚氨基)二丁酸

Database IDs

• CAS Number: 498-17-9
• MDL Number: MFCD00083323
• PubChem SID: 24894518; 162226210
• PubChem CID: 164632

CALCULATED PROPERTIES

• Acid pKa: 1.6494193
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -4.1937084
• LogD (pH = 7.4): -4.5460963
• Log P: -4.189128
• Molar Refractivity: 57.6228 cm^3
• Polarizability: 23.2974 Å^3
• Polar Surface Area: 98.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

DETAILS

Sigma Aldrich - E3513

Biochem/physiol Actions
与锌的亲和性大于铜的螯合剂。可增大患有门克斯病的婴儿对铜蛋白质的合成。