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

• ChemBase ID: 110585
• Molecular Formular: C6H11N3O4
• Molecular Mass: 189.16924
• Monoisotopic Mass: 189.07495585
• SMILES: NCC(=O)NCC(=O)NCC(=O)O
• Canonical SMILES: NCC(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
• InChIKey: XKUKSGPZAADMRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-aminoacetamido)acetamido]acetic acid
• IUPAC Traditional name: Gly-Gly-Gly; triglycine
• Synonyms: Additive Screening Solution 48/Fluka kit no 78374; Glycyl-glycyl-glycine solution; Glycyl-glycyl-glycine 0.3 M solution; Glycyl-glycyl-glycine; Triglycine; Gly-Gly-Gly; DIGLYCYLGLYCINE; Gly-Gly-Gly; Glycylglycylglycine; 甘氨酰甘氨酰甘氨酸

Database IDs

• CAS Number: 556-33-2
• EC Number: 231-791-2; 209-122-0
• MDL Number: MFCD00036223
• Beilstein Number: 1711130
• Merck Index: 146579
• PubChem SID: 24873346; 24895061; 162095833
• PubChem CID: 11161

CALCULATED PROPERTIES

• Acid pKa: 3.430802
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -5.622475
• LogD (pH = 7.4): -5.743983
• Log P: -5.624415
• Molar Refractivity: 41.6104 cm^3
• Polarizability: 16.472235 Å^3
• Polar Surface Area: 121.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M at 20 °C, clear, colorless
• Melting Point: ca 240°C dec.
• Absorption Wavelength: λ: 260 nm Amax: 0.15; λ: 280 nm Amax: 0.10
• pH: 4.5-6.0 (25 °C, 0.5 M in H2O)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (NT); 99%
• Ignition Residue: ≤0.1% (as SO4)
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤50 mg/kg; Bi: ≤5 mg/kg; Ca: ≤20 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤0.5% loss on drying, 110 °C
• λ: 0.5 M in H2O
• Product Line: BioUltra
• Linear Formula: NH2CH2CONHCH2CONHCH2COOH

DETAILS

MP Biomedicals - 05215613

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 50239

Amino Acid Sequence
Gly-Gly-Gly
Biochem/physiol Actions
Substrate for reproducible serum protein measurements by the biuret reaction1 and for the assay of aminotripeptidases.2

Sigma Aldrich - G1377

Amino Acid Sequence
Gly-Gly-Gly
Biochem/physiol Actions
Substrate for reproducible serum protein measurements by the biuret reaction1 and for the assay of aminotripeptidases.2