ChemSpider 2D Image | 1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)ethyl 1-(2-amino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate | C16H25N5O5

1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)ethyl 1-(2-amino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate

  • Molecular FormulaC16H25N5O5
  • Average mass367.400 Da
  • Monoisotopic mass367.185577 Da
  • ChemSpider ID30274778

More details:

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

1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)ethyl 1-(2-amino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate [ACD/IUPAC Name]
1-(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)ethyl-1-(2-amino-2-oxoethyl)-1H-1,2,3-triazol-4-carboxylat [German] [ACD/IUPAC Name]
1-(2-Amino-2-oxoéthyl)-1H-1,2,3-triazole-4-carboxylate de 1-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-pyrrolidinyl)éthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-amino-2-oxoethyl)-, 1-[1-[(1,1-dimethylethoxy)carbonyl]-2-pyrrolidinyl]ethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 554.1±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.9±30.9 °C
Index of Refraction: 1.606
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 53.27
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 53.27
Polar Surface Area: 130 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 267.6±7.0 cm3

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