ChemSpider 2D Image | 3-Ethyl 2-(2-methyl-2-propanyl) (1R,3R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate | C14H21NO5

3-Ethyl 2-(2-methyl-2-propanyl) (1R,3R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

  • Molecular FormulaC14H21NO5
  • Average mass283.320 Da
  • Monoisotopic mass283.141968 Da
  • ChemSpider ID71060821

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3R,4R)-5-Oxo-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate de 3-éthyle et de 2-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-oxo-, 2-(1,1-dimethylethyl) 3-ethyl ester, (1R,3R,4R)- [ACD/Index Name]
3-Ethyl 2-(2-methyl-2-propanyl) (1R,3R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate [ACD/IUPAC Name]
3-Ethyl-2-(2-methyl-2-propanyl)-(1R,3R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2,3-dicarboxylat [German] [ACD/IUPAC Name]
2227197-36-4 [RN]
2-tert-butyl 3-ethyl (1R,3R,4R)-5-oxo-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 380.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 183.9±27.9 °C
Index of Refraction: 1.508
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.09
ACD/KOC (pH 5.5): 155.37
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 155.37
Polar Surface Area: 73 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 234.1±3.0 cm3

Click to predict properties on the Chemicalize site


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