ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,5R)-6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate | C11H17NO3

2-Methyl-2-propanyl (1S,5R)-6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID25027220

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5R)-6-Oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,5R)-6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,5R)-6-oxo-3-azabicyclo[3.2.0]heptan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[3.2.0]heptane-3-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester, (1S,5R)- [ACD/Index Name]
[663172-80-3] [RN]
1251004-19-9 [RN]
1932528-28-3 [RN]
663172-80-3 [RN]
cis-6-oxo-3-Aza-bicyclo[3.2.0]heptane-3-carboxylic acid tert-butyl ester
cis-6-oxo-3-aza-bicyclo3.2.0heptane-3-carboxylic acid tert-butyl ester
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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±25.0 °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±23.2 °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: 0.36
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.16
    ACD/KOC (pH 5.5): 79.25
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 3.16
    ACD/KOC (pH 7.4): 79.25
    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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