ChemSpider 2D Image | (3S,4R)-1-[(tert-butoxy)carbonyl]-4-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid | C19H27NO4

(3S,4R)-1-[(tert-butoxy)carbonyl]-4-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid

  • Molecular FormulaC19H27NO4
  • Average mass333.422 Da
  • Monoisotopic mass333.194000 Da
  • ChemSpider ID24721672

  • defined stereocentres - 2 of 2 defined stereocentres

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

(3S,4R)-1-[(tert-butoxy)carbonyl]-4-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
(3S,4R)-4-(4-Isopropylphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4R)-4-(4-Isopropylphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-[4-(1-methylethyl)phenyl]-, 1-(1,1-dimethylethyl) ester, (3S,4R)- [ACD/Index Name]
1263281-52-2 [RN]
Acide (3S,4R)-4-(4-isopropylphényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-isopropylphenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-isopropylphenyl)pyrrolidine-3-carboxylicacid
(3S,4R)-1-(tert-Butoxycarbonyl)-4-[4-(propan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
[1263281-52-2] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 470.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 238.1±28.7 °C
    Index of Refraction: 1.536
    Molar Refractivity: 91.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.89
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 33.43
    ACD/KOC (pH 5.5): 196.75
    ACD/LogD (pH 7.4): 0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.18
    Polar Surface Area: 67 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 293.5±3.0 cm3

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