ChemSpider 2D Image | (4S)-4-[3-(Diethylamino)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline | C20H30N2O5

(4S)-4-[3-(Diethylamino)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

  • Molecular FormulaC20H30N2O5
  • Average mass378.463 Da
  • Monoisotopic mass378.215485 Da
  • ChemSpider ID25074952

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-[3-(Diethylamino)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-[3-(Diethylamino)phenoxy]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline [ACD/IUPAC Name]
(4S)-4-[3-(Diéthylamino)phénoxy]-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[3-(diethylamino)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)- [ACD/Index Name]
(2S,4S)-1-(tert-butoxycarbonyl)-4-(3-(diethylamino)phenoxy)pyrrolidine-2-carboxylic acid
(2S,4S)-1-(tert-Butoxycarbonyl)-4-[3-(diethyl-amino)phenoxy]-2-pyrrolidinecarboxylic acid
(2s,4s)-1-(tert-butoxycarbonyl)-4-[3-(diethyl-amino)phenoxy]-2-pyrrolidinecarboxylicacid
(2S,4S)-4-[3-(diethylamino)phenoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
1354486-97-7 [RN]
MFCD13561371 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 516.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 266.4±30.1 °C
    Index of Refraction: 1.556
    Molar Refractivity: 102.8±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 0.85
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.28
    ACD/LogD (pH 7.4): -0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 319.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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