ChemSpider 2D Image | (1S,3S,5S)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate | C11H18N2O3

(1S,3S,5S)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

  • Molecular FormulaC11H18N2O3
  • Average mass226.272 Da
  • Monoisotopic mass226.131744 Da
  • ChemSpider ID23350931

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
(1S,3S,5S)-3-Carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(1S,3S,5S)-tert-butyl 3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
1,1-Dimethylethyl (1S,3S,5S)-3-(aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester, (1S,3S,5S)- [ACD/Index Name]
2-Methyl-2-propanyl (1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexan-2-carboxylat [German] [ACD/IUPAC Name]
361440-67-7 [RN]
T35 DNTJ DVOX1&1&1 EVZ &&(1S,3S,5S)- Form [WLN]
(1s,3s,5s)-2-boc-2-azabicyclo-[3.1.0]hexane-3-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 388.9±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 189.0±22.1 °C
Index of Refraction: 1.538
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 70.08
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.66
ACD/KOC (pH 7.4): 70.08
Polar Surface Area: 73 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 184.1±3.0 cm3

Click to predict properties on the Chemicalize site


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