ChemSpider 2D Image | Methyl N-benzyl-N-(carboxymethyl)glycyl-L-histidinate | C18H22N4O5

Methyl N-benzyl-N-(carboxymethyl)glycyl-L-histidinate

  • Molecular FormulaC18H22N4O5
  • Average mass374.391 Da
  • Monoisotopic mass374.159027 Da
  • ChemSpider ID34236371
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[[2-[[(2s)-3-(3h-Imidazol-4-Yl)-1-Methoxy-1-Oxo-Propan-2-Yl]amino]-2-Oxo-Ethyl]-(Phenylmethyl)amino]ethanoic Acid
L-Histidine, N-(carboxymethyl)-N-(phenylmethyl)glycyl-, methyl ester [ACD/Index Name]
Methyl N-benzyl-N-(carboxymethyl)glycyl-L-histidinate [ACD/IUPAC Name]
Methyl-N-benzyl-N-(carboxymethyl)glycyl-L-histidinat [German] [ACD/IUPAC Name]
N-Benzyl-N-(carboxyméthyl)glycyl-L-histidinate de méthyle [French] [ACD/IUPAC Name]
I41

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site