ChemSpider 2D Image | Benzyl (2S)-2-{[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-(2-pyridinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate | C27H36N4O5

Benzyl (2S)-2-{[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-(2-pyridinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC27H36N4O5
  • Average mass496.599 Da
  • Monoisotopic mass496.268585 Da
  • ChemSpider ID24750716

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-{[4-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-1-(2-pyridinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(2-pyridinyl)butyl]amino]carbonyl]-, phenylmethyl ester, (2S)- [ACD/Index Name]
Benzyl (2S)-2-{[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-(2-pyridinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl-(2S)-2-{[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-(2-pyridinyl)butyl]carbamoyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S)-benzyl 2-((4-((tert-butoxycarbonyl)amino)-1-(pyridin-2-yl)butyl)carbamoyl)pyrrolidine-1-carboxylate
1276017-65-2 [RN]
benzyl (2S)-2-[(4-{[(tert-butoxy)carbonyl]amino}-1-(pyridin-2-yl)butyl)carbamoyl]pyrrolidine-1-carboxylate
benzyl (2S)-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-pyridin-2-ylbutyl]carbamoyl]pyrrolidine-1-carboxylate
MFCD17168319

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 710.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 383.4±32.9 °C
    Index of Refraction: 1.562
    Molar Refractivity: 135.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 201.56
    ACD/KOC (pH 5.5): 1530.02
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 212.16
    ACD/KOC (pH 7.4): 1610.44
    Polar Surface Area: 110 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 417.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement