ChemSpider 2D Image | Ethyl (1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclopentanecarboxylate | C13H23NO4

Ethyl (1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclopentanecarboxylate

  • Molecular FormulaC13H23NO4
  • Average mass257.326 Da
  • Monoisotopic mass257.162720 Da
  • ChemSpider ID24605647

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)cyclopentanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
1140972-31-1 [RN]
Cyclopentanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester, (1S,2R)- [ACD/Index Name]
Ethyl (1S,2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopentanecarboxylate [ACD/IUPAC Name]
Ethyl (1S,2R)-2-[(tert-butoxycarbonyl)amino]cyclopentanecarboxylate
Ethyl (1S,2R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]cyclopentanecarboxylate
Ethyl-(1S,2R)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclopentancarboxylat [German] [ACD/IUPAC Name]
(1S,2R)-ethyl 2-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate
[1140972-31-1] [RN]
1402568-08-4 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 347.2±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.1±3.0 kJ/mol
    Flash Point: 163.8±24.8 °C
    Index of Refraction: 1.474
    Molar Refractivity: 67.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.47
    ACD/LogD (pH 5.5): 2.64
    ACD/BCF (pH 5.5): 59.58
    ACD/KOC (pH 5.5): 648.97
    ACD/LogD (pH 7.4): 2.64
    ACD/BCF (pH 7.4): 59.58
    ACD/KOC (pH 7.4): 648.95
    Polar Surface Area: 65 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 37.0±5.0 dyne/cm
    Molar Volume: 240.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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