ChemSpider 2D Image | (3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(1-naphthyl)-3-pyrrolidinecarboxylic acid | C20H23NO4

(3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(1-naphthyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC20H23NO4
  • Average mass341.401 Da
  • Monoisotopic mass341.162720 Da
  • ChemSpider ID28537212

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(1-naphthyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(1-naphthyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-(1-naphthalenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-(1-naphtyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(naphthalen-1-yl)pyrrolidine-3-carboxylic acid
(3R,4S)-rel-1-(tert-Butoxycarbonyl)-4-(naphthalen-1-yl)pyrrolidine-3-carboxylic acid
1330750-32-7 [RN]
1820576-34-8 [RN]
959577-47-0 [RN]
boc-(±)-trans-4-(1-naphthyl)-pyrrolidine-3-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 524.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 84.0±3.0 kJ/mol
    Flash Point: 270.9±30.1 °C
    Index of Refraction: 1.602
    Molar Refractivity: 95.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.78
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 36.13
    ACD/KOC (pH 5.5): 201.76
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.31
    Polar Surface Area: 67 Å2
    Polarizability: 37.7±0.5 10-24cm3
    Surface Tension: 52.2±3.0 dyne/cm
    Molar Volume: 277.5±3.0 cm3

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