ChemSpider 2D Image | (2S)-2-(4-Chlorophenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | C17H24ClNO4

(2S)-2-(4-Chlorophenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

  • Molecular FormulaC17H24ClNO4
  • Average mass341.830 Da
  • Monoisotopic mass341.139374 Da
  • ChemSpider ID57602715

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
(2S)-2-(4-Chlorphenyl)-3-(isopropyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(4-chlorophényl)-3-(isopropyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-chloro-α-[[[(1,1-dimethylethoxy)carbonyl](1-methylethyl)amino]methyl]-, (αS)- [ACD/Index Name]
(2S)-3-[(tert-butoxycarbonyl)(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid
(2S)-3-[tert-butoxycarbonyl(isopropyl)amino]-2-(4-chlorophenyl)propanoic acid
(2S)-3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid
(S)-3-((TERT-BUTOXYCARBONYL)(ISOPROPYL)AMINO)-2-(4-CHLOROPHENYL)PROPANOIC ACID
1001179-33-4 [RN]
MFCD29048717

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 453.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 227.9±27.3 °C
    Index of Refraction: 1.530
    Molar Refractivity: 89.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.76
    ACD/LogD (pH 5.5): 2.59
    ACD/BCF (pH 5.5): 20.02
    ACD/KOC (pH 5.5): 91.26
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.19
    Polar Surface Area: 67 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 43.1±3.0 dyne/cm
    Molar Volume: 289.3±3.0 cm3

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