ChemSpider 2D Image | Methyl 2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]-5-nitronicotinate | C16H22N4O6

Methyl 2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]-5-nitronicotinate

  • Molecular FormulaC16H22N4O6
  • Average mass366.369 Da
  • Monoisotopic mass366.153931 Da
  • ChemSpider ID26052633

More details:

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

1242268-00-3 [RN]
2-[3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]-5-nitronicotinate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-pyrrolidinyl]-5-nitro-, methyl ester [ACD/Index Name]
Methyl 2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]-5-nitronicotinate [ACD/IUPAC Name]
Methyl 2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-pyrrolidinyl]-5-nitro-3-pyridinecarboxylate
Methyl-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-pyrrolidinyl]-5-nitronicotinat [German] [ACD/IUPAC Name]
FE-0711
methyl 2-(3-((tert-butoxycarbonyl)amino)pyrrolidin-1-yl)-5-nitronicotinate
methyl 2-(3-{[(tert-butoxy)carbonyl]amino}pyrrolidin-1-yl)-5-nitropyridine-3-carboxylate
Methyl 2-{3-[(tert-butoxycarbonyl)amino]-1-pyrrolidinyl}-5-nitronicotinate
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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: 547.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.7±3.0 kJ/mol
    Flash Point: 285.0±30.1 °C
    Index of Refraction: 1.570
    Molar Refractivity: 90.7±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 2.39
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 41.51
    ACD/KOC (pH 5.5): 501.06
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 41.51
    ACD/KOC (pH 7.4): 501.06
    Polar Surface Area: 127 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 58.7±5.0 dyne/cm
    Molar Volume: 276.6±5.0 cm3

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