2-(2-{2-[2-(2-aminoacetamido)acetamido]acetamido}acetamido)acetic acid

• ChemBase ID: 104808
• Molecular Formular: C10H17N5O6
• Molecular Mass: 303.27188
• Monoisotopic Mass: 303.11788329
• SMILES: NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
• Canonical SMILES: NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C10H17N5O6/c11-1-6(16)12-2-7(17)13-3-8(18)14-4-9(19)15-5-10(20)21/h1-5,11H2,(H,12,16)(H,13,17)(H,14,18)(H,15,19)(H,20,21)
• InChIKey: MXHCPCSDRGLRER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{2-[2-(2-aminoacetamido)acetamido]acetamido}acetamido)acetic acid
• IUPAC Traditional name: Gly-Gly-Gly-Gly-Gly; (2-{2-[2-(2-aminoacetamido)acetamido]acetamido}acetamido)acetic acid
• Synonyms: Glycyl-glycyl-glycyl-glycyl-glycine; Gly-Gly-Gly-Gly-Gly; Pentaglycine; GLY-GLY-GLY-GLY-GLY

Database IDs

• CAS Number: 7093-67-6
• EC Number: 230-398-3
• MDL Number: MFCD00083696
• Beilstein Number: 1716946
• PubChem SID: 24895226; 162093050
• PubChem CID: 81537

CALCULATED PROPERTIES

• Acid pKa: 3.3373175
• H Acceptors: 7
• H Donor: 6
• LogD (pH = 5.5): -7.8330474
• LogD (pH = 7.4): -7.9551387
• Log P: -7.8353906
• Molar Refractivity: 67.2174 cm^3
• Polarizability: 26.394876 Å^3
• Polar Surface Area: 179.72 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

DETAILS

MP Biomedicals - 02157253

Crystalline