ChemSpider 2D Image | (3S,4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-[4-(2-methyl-2-propanyl)phenyl]-3-pyrrolidinecarboxylic acid | C20H29NO4

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

  • Molecular FormulaC20H29NO4
  • Average mass347.449 Da
  • Monoisotopic mass347.209656 Da
  • ChemSpider ID24721673

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-[4-(2-methyl-2-propanyl)phenyl]-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-[4-(2-methyl-2-propanyl)phenyl]-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-, 1-(1,1-dimethylethyl) ester, (3S,4R)- [ACD/Index Name]
Acide (3S,4R)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-[4-(2-méthyl-2-propanyl)phényl]-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-(tert-butyl)phenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-tert-butylphenyl)pyrrolidine-3-carboxylic acid
(3S,4R)-1-(tert-Butoxycarbonyl)-4-(4-tert-butylphenyl)pyrrolidine-3-carboxylicacid
[1263281-72-6] [RN]
1263281-72-6 [RN]
boc-(±)-trans-4-(4-tert-butyl-phenyl)-pyrrolidine-3-carboxylicacid
More...

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, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 480.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.5±3.0 kJ/mol
    Flash Point: 244.4±28.7 °C
    Index of Refraction: 1.530
    Molar Refractivity: 95.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.24
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 70.90
    ACD/KOC (pH 5.5): 338.36
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 1.14
    ACD/KOC (pH 7.4): 5.46
    Polar Surface Area: 67 Å2
    Polarizability: 38.0±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 310.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement