ChemSpider 2D Image | (S)-tert-butyl (5-oxopyrrolidin-3-yl)carbamate | C9H16N2O3

(S)-tert-butyl (5-oxopyrrolidin-3-yl)carbamate

  • Molecular FormulaC9H16N2O3
  • Average mass200.235 Da
  • Monoisotopic mass200.116089 Da
  • ChemSpider ID24205924

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-tert-butyl (5-oxopyrrolidin-3-yl)carbamate
[(3S)-5-Oxo-3-pyrrolidinyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3S)-5-oxo-3-pyrrolidinyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S)-5-oxo-3-pyrrolidinyl]carbamat [German] [ACD/IUPAC Name]
672883-23-7 [RN]
Carbamic acid, N-[(3S)-5-oxo-3-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(s)-(5-oxo-pyrrolidin-3-yl)-carbamic acid tert-butyl ester
(S)-4-(Boc-Amino)-2-pyrrolidinone
(S)-tert-butyl 5-oxopyrrolidin-3-ylcarbamate
(S)-tert-Butyl(5-oxopyrrolidin-3-yl)carbamate
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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: 394.0±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 192.1±24.8 °C
    Index of Refraction: 1.491
    Molar Refractivity: 50.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.71
    ACD/LogD (pH 5.5): 0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 26.91
    ACD/LogD (pH 7.4): 0.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 26.91
    Polar Surface Area: 67 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 40.0±5.0 dyne/cm
    Molar Volume: 175.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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