Chemical Properties of N-(N-Glycylglycyl)glycine (CAS 556-33-2)

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)

InChI Key

XKUKSGPZAADMRA-UHFFFAOYSA-N

Formula

C6H11N3O4

SMILES

NCC(O)=NCC(O)=NCC(=O)O

Molecular Weight¹

189.17

CAS

556-33-2

Other Names

• Diglycylglycine
• Glycine, N-(N-glycylglycyl)-
• Glycylglycylglycine
• Triglycine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[215.50; 216.00]	J/mol×K	[298.00; 298.00]
Cp,solid	216.00	J/mol×K	298.00	NIST
Cp,solid	215.50	J/mol×K	298.00	NIST

Similar Compounds

Find more compounds similar to N-(N-Glycylglycyl)glycine.

Mixtures

• Water + Tetradonium Bromide + N-(N-Glycylglycyl)glycine
• Water + N-(N-Glycylglycyl)glycine + Pentoxifylline
• Water + N-(N-Glycylglycyl)glycine
• Glucose + Water + N-(N-Glycylglycyl)glycine
• Water + Methanamine, N,N-dimethyl-, N-oxide + N-(N-Glycylglycyl)glycine
• Betaine + Water + N-(N-Glycylglycyl)glycine
• Urea + Water + N-(N-Glycylglycyl)glycine
• Fructose + Water + N-(N-Glycylglycyl)glycine
• Sucrose + Water + N-(N-Glycylglycyl)glycine
• 1,2-Propanediol, 3-chloro- + Water + N-(N-Glycylglycyl)glycine
• Water + 3-Chloro-1-propanol + N-(N-Glycylglycyl)glycine
• potassium chloride + Water + N-(N-Glycylglycyl)glycine
• Potassium bromide + Water + N-(N-Glycylglycyl)glycine
• sodium chloride + Water + N-(N-Glycylglycyl)glycine
• Ethanol + Water + N-(N-Glycylglycyl)glycine

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Interactions of some amino acids and glycine peptideswith aqueous sodium dodecyl sulfate and cetyltrimethylammonium bromide at T 1/4 298:15 K: a volumetric approach
• Densities of aqueous solutions containing model compounds of amino acids and ionic salts at T = 298.15 K
• Interaction of some hydrophobic amino acids, peptides, and protein with aqueous 3-chloro-1,2-propanediol and 3-chloro-1-propanol: Biophysical studies
• Interactions of some short peptides with the osmolyte trimethylamine N-oxide in aqueous solution: physico-chemical insights
• Interactions of amino acids and peptides with the drug pentoxifylline in aqueous solution at various temperatures: A volumetric approach
• Studies on the interactions of diglycine and triglycine with polyethylene glycol 400 in aqueous solutions by density and ultrasound speed measurements
• Thermodynamics of the interactions of some amino acids and peptides with dodecyltrimethylammonium bromide and tetradecyltrimethylammonium bromide
• Thermodynamic properties of peptide solutions 20. Partial molar volumes and isothermal compressions for some tripeptides of sequence gly-X-gly (X = gly, ala, leu, asn, thr, and tyr) in aqueous solution at T = 298.15 K and p = (10-120) MPa
• Counteracting effects of trimethylamine N-oxide and betaine on the interactions of urea with zwitterionic glycine peptides
• Interactions of tripeptide with glucose in aqueous solutions at various temperatures: A volumetric and ultrasonic study
• Partial molar volumes, expansibilities and compressibilities of glyglyglycine in aqueous sucrose and fructose solutions between 288.15 to 308.15 K
• Enthalpies of solution of diglycylglycine in aqueous solution of amides at 298.15 K
• Transfer Enthalpies of Amino Acids and Glycine Peptides from Water to Aqueous Solutions of Trimethylamine N-oxide at 298.15 K
• Solubilities of Glycine and Its Oligopeptides in Aqueous Solutions
• Enthalpic Interaction Coefficients of N-(N- Glycylglycyl)glycine in Aqueous Sodium Chloride and Potassium Chloride Solutions at 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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