ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,4S)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate | C11H17NO3

2-Methyl-2-propanyl (1S,4S)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID32789113

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4S)-5-Oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester, (1S,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (1S,4S)-5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,4S)-5-oxo-2-azabicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC Name]
[198835-06-2] [RN]
1932590-17-4 [RN]
198835-06-2 [RN]
1993045-73-0 [RN]
2-boc-5-oxo-2-aza-bicyclo2.2.1heptane
MFCD09040745 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 308.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.2±25.9 °C
Index of Refraction: 1.515
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.48
ACD/KOC (pH 5.5): 117.66
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 117.66
Polar Surface Area: 47 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 180.0±3.0 cm3

Click to predict properties on the Chemicalize site


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