ChemSpider 2D Image | Ethyl 4-(5-{[(3R)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]carbamoyl}-2-pyridinyl)-1-piperazinecarboxylate | C22H33N5O5

Ethyl 4-(5-{[(3R)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]carbamoyl}-2-pyridinyl)-1-piperazinecarboxylate

  • Molecular FormulaC22H33N5O5
  • Average mass447.528 Da
  • Monoisotopic mass447.248169 Da
  • ChemSpider ID71046063

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[5-[[[(3R)-1-[(1,1-dimethylethoxy)carbonyl]-3-pyrrolidinyl]amino]carbonyl]-2-pyridinyl]-, ethyl ester [ACD/Index Name]
2227197-41-1 [RN]
4-(5-{[(3R)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]carbamoyl}-2-pyridinyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(5-{[(3R)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]carbamoyl}-2-pyridinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(5-{[(3R)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinyl]carbamoyl}-2-pyridinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-(5-{[(3R)-1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl]carbamoyl}pyridin-2-yl)piperazine-1-carboxylate
MFCD31696155

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 638.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.3±3.0 kJ/mol
    Flash Point: 340.0±31.5 °C
    Index of Refraction: 1.585
    Molar Refractivity: 118.3±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 0.86
    ACD/LogD (pH 5.5): 0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 11.13
    ACD/LogD (pH 7.4): 1.48
    ACD/BCF (pH 7.4): 7.56
    ACD/KOC (pH 7.4): 141.11
    Polar Surface Area: 104 Å2
    Polarizability: 46.9±0.5 10-24cm3
    Surface Tension: 58.7±5.0 dyne/cm
    Molar Volume: 353.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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