ChemSpider 2D Image | 4-[4-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}proline | C15H22N4O6

4-[4-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}proline

  • Molecular FormulaC15H22N4O6
  • Average mass354.358 Da
  • Monoisotopic mass354.153931 Da
  • ChemSpider ID26013758

More details:

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

1,2-Pyrrolidinedicarboxylic acid, 4-[4-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
4-[4-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}prolin [German] [ACD/IUPAC Name]
4-[4-(Ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}proline [ACD/IUPAC Name]
4-[4-(Éthoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}proline [French] [ACD/IUPAC Name]
1-(tert-butoxycarbonyl)-4-(4-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl)pyrrolidine-2-carboxylic acid
1-(tert-butoxycarbonyl)-4-[4-(ethoxycarbonyl)-1H-1,2,3-triazol-1-yl]proline
1219363-98-0 [RN]
4-(4-Ethoxycarbonyl-[1,2,3]triazol-1-yl)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
4-(4-ethoxycarbonyltriazol-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
AGN-PC-0730XX
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 537.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 85.7±3.0 kJ/mol
    Flash Point: 278.9±32.9 °C
    Index of Refraction: 1.603
    Molar Refractivity: 86.6±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.43
    ACD/LogD (pH 5.5): -1.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 124 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 52.2±7.0 dyne/cm
    Molar Volume: 252.0±7.0 cm3

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