ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,5S)-3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate | C11H18N2O3

2-Methyl-2-propanyl (1S,5S)-3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate

  • Molecular FormulaC11H18N2O3
  • Average mass226.272 Da
  • Monoisotopic mass226.131744 Da
  • ChemSpider ID115034717

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-3-Oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2,6-Diazabicyclo[3.2.1]octane-6-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S,5S)- [ACD/Index Name]
2-Methyl-2-propanyl (1S,5S)-3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,5S)-3-oxo-2,6-diazabicyclo[3.2.1]octan-6-carboxylat [German] [ACD/IUPAC Name]
2763741-33-7 [RN]
tert-butyl (1S,5S)-3-oxo-2,6-diazabicyclo[3.2.1]octane-6-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 190.9±25.9 °C
Index of Refraction: 1.506
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.05
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.05
Polar Surface Area: 59 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site


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