ChemSpider 2D Image | tert-Butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate | C17H25NO4

tert-Butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC17H25NO4
  • Average mass307.385 Da
  • Monoisotopic mass307.178345 Da
  • ChemSpider ID21801522

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-3-(Hydroxyméthyl)-4-(4-méthoxyphényl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1186654-76-1 [RN]
1-Pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-4-(4-methoxyphenyl)-, 1,1-dimethylethyl ester, (3S,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-Butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate
(3S,4R)-tert-butyl 3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate
1-pyrrolidinecarboxylic acid, 3-(hydroxymethyl)-4-(4-methoxyphenyl), 1,1-dimethylethyl ester, (3S,4R)
tert-butyl(3s,4r)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate

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

MFCD12028189 [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: 434.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.8±3.0 kJ/mol
    Flash Point: 216.7±27.3 °C
    Index of Refraction: 1.527
    Molar Refractivity: 84.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 47.07
    ACD/KOC (pH 5.5): 548.23
    ACD/LogD (pH 7.4): 2.50
    ACD/BCF (pH 7.4): 47.07
    ACD/KOC (pH 7.4): 548.23
    Polar Surface Area: 59 Å2
    Polarizability: 33.4±0.5 10-24cm3
    Surface Tension: 41.4±3.0 dyne/cm
    Molar Volume: 273.7±3.0 cm3

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