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

• ChemBase ID: 104807
• Molecular Formular: C8H14N4O5
• Molecular Mass: 246.22056
• Monoisotopic Mass: 246.09641957
• SMILES: NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
• Canonical SMILES: NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)
• InChIKey: QMOQBVOBWVNSNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 637-84-3
• EC Number: 211-303-4
• MDL Number: MFCD00008129
• Beilstein Number: 1715387
• PubChem SID: 24895140; 162091731
• PubChem CID: 69481

CALCULATED PROPERTIES

• Acid pKa: 3.3373175
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -6.727764
• LogD (pH = 7.4): -6.8498483
• Log P: -6.730107
• Molar Refractivity: 54.4139 cm^3
• Polarizability: 21.433552 Å^3
• Polar Surface Area: 150.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

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

Product Information

• Purity: ≥98.0% (TLC)
• Grade: purum
• Linear Formula: NH2CH2CO(NHCH2CO)3OH

DETAILS

MP Biomedicals - 02157252

Crystalline

MP Biomedicals - 05213555

MP Biomedicals Rare Chemical collection

Sigma Aldrich - G3882

Amino Acid Sequence
Gly-Gly-Gly-Gly

Sigma Aldrich - 87300

Amino Acid Sequence
Gly-Gly-Gly-Gly