Found 6 results

Search term: RGUXKOMAMWNWBO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,5R,6R)-5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate | C11H20N2O2

2-Methyl-2-propanyl (1S,5R,6R)-5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate

  • Molecular FormulaC11H20N2O2
  • Average mass212.289 Da
  • Monoisotopic mass212.152481 Da
  • ChemSpider ID61463633

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,5R,6R)-5-Amino-3-azabicyclo[4.1.0]heptane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,5R,6R)-5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,5R,6R)-5-amino-3-azabicyclo[4.1.0]heptan-3-carboxylat [German] [ACD/IUPAC Name]
3-Azabicyclo[4.1.0]heptane-3-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, (1S,5R,6R)- [ACD/Index Name]
1931926-11-2 [RN]
3-Boc-5-endo-Amino-3-aza-bicyclo[4.1.0]heptane
MFCD28398084
tert-butyl (1S,5R,6R)-5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 294.8±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±3.0 kJ/mol
    Flash Point: 132.1±22.6 °C
    Index of Refraction: 1.516
    Molar Refractivity: 57.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.57
    ACD/LogD (pH 5.5): -2.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 56 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 191.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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