ChemSpider 2D Image | tert-butyl (3R,4R)-3-{[2-(3-chlorophenyl)ethyl]amino}-4-hydroxypyrrolidine-1-carboxylate | C17H25ClN2O3

tert-butyl (3R,4R)-3-{[2-(3-chlorophenyl)ethyl]amino}-4-hydroxypyrrolidine-1-carboxylate

  • Molecular FormulaC17H25ClN2O3
  • Average mass340.845 Da
  • Monoisotopic mass340.155365 Da
  • ChemSpider ID21800852

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-{[2-(3-Chlorophényl)éthyl]amino}-4-hydroxy-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1186647-47-1 [RN]
1-Pyrrolidinecarboxylic acid, 3-[[2-(3-chlorophenyl)ethyl]amino]-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R,4R)-3-{[2-(3-chlorophenyl)ethyl]amino}-4-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,4R)-3-{[2-(3-chlorphenyl)ethyl]amino}-4-hydroxy-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl (3R,4R)-3-{[2-(3-chlorophenyl)ethyl]amino}-4-hydroxypyrrolidine-1-carboxylate
(3R,4R)-tert-butyl 3-((3-chlorophenethyl)amino)-4-hydroxypyrrolidine-1-carboxylate
3-[2-(3-Chloro-phenyl)-ethylamino]-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
tert-Butyl (3r,4r)-3-([2-(3-chlorophenyl)ethyl]amino)-4-hydroxypyrrolidine-1-carboxylate
tert-butyl (3R,4R)-3-[2-(3-chlorophenyl)ethylamino]-4-hydroxypyrrolidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027507 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 469.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.1±3.0 kJ/mol
    Flash Point: 237.7±28.7 °C
    Index of Refraction: 1.569
    Molar Refractivity: 91.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.04
    ACD/LogD (pH 5.5): 0.21
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.52
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 5.55
    ACD/KOC (pH 7.4): 48.54
    Polar Surface Area: 62 Å2
    Polarizability: 36.2±0.5 10-24cm3
    Surface Tension: 49.9±5.0 dyne/cm
    Molar Volume: 278.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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