ChemSpider 2D Image | 1-tert-Butyl 3-ethyl 4-ureido-1H-pyrrole-1,3(2H,5H)-dicarboxylate | C13H21N3O5

1-tert-Butyl 3-ethyl 4-ureido-1H-pyrrole-1,3(2H,5H)-dicarboxylate

  • Molecular FormulaC13H21N3O5
  • Average mass299.323 Da
  • Monoisotopic mass299.148132 Da
  • ChemSpider ID29314755

More details:

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

1449117-74-1 [RN]
1H-Pyrrole-1,3-dicarboxylic acid, 4-[(aminocarbonyl)amino]-2,5-dihydro-, 1-(1,1-dimethylethyl) 3-ethyl ester [ACD/Index Name]
1-tert-Butyl 3-ethyl 4-ureido-1H-pyrrole-1,3(2H,5H)-dicarboxylate
3-Ethyl 1-(2-methyl-2-propanyl) 4-(carbamoylamino)-2,5-dihydro-1H-pyrrole-1,3-dicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-4-(carbamoylamino)-2,5-dihydro-1H-pyrrol-1,3-dicarboxylat [German] [ACD/IUPAC Name]
4-(Carbamoylamino)-2,5-dihydro-1H-pyrrole-1,3-dicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1-(tert-butyl) 3-ethyl 4-ureido-2,5-dihydro-1H-pyrrole-1,3-dicarboxylate
1-O-tert-butyl 3-O-ethyl 4-(carbamoylamino)-2,5-dihydropyrrole-1,3-dicarboxylate
1-tert-butyl 3-ethyl 4-(carbamoylamino)-2,5-dihydro-1H-pyrrole-1,3-dicarboxylate
1-tert-butyl 3-ethyl 4-(carbamoylamino)-2,5-dihydropyrrole-1,3-dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 415.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.8±3.0 kJ/mol
    Flash Point: 205.0±28.7 °C
    Index of Refraction: 1.536
    Molar Refractivity: 74.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): 0.90
    ACD/BCF (pH 5.5): 2.85
    ACD/KOC (pH 5.5): 73.59
    ACD/LogD (pH 7.4): 0.90
    ACD/BCF (pH 7.4): 2.85
    ACD/KOC (pH 7.4): 73.59
    Polar Surface Area: 111 Å2
    Polarizability: 29.6±0.5 10-24cm3
    Surface Tension: 50.6±5.0 dyne/cm
    Molar Volume: 239.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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