ChemSpider 2D Image | 1-tert-butyl 3-ethyl (3r,4s)-4-aminopyrrolidine-1,3-dicarboxylate | C12H22N2O4

1-tert-butyl 3-ethyl (3r,4s)-4-aminopyrrolidine-1,3-dicarboxylate

  • Molecular FormulaC12H22N2O4
  • Average mass258.314 Da
  • Monoisotopic mass258.157959 Da
  • ChemSpider ID26403993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-Amino-1,3-pyrrolidinedicarboxylate de 3-éthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3-Pyrrolidinedicarboxylic acid, 4-amino-, 1-(1,1-dimethylethyl) 3-ethyl ester, (3R,4S)- [ACD/Index Name]
1-tert-butyl 3-ethyl (3r,4s)-4-aminopyrrolidine-1,3-dicarboxylate
3-Ethyl 1-(2-methyl-2-propanyl) (3R,4S)-4-amino-1,3-pyrrolidinedicarboxylate [ACD/IUPAC Name]
3-Ethyl-1-(2-methyl-2-propanyl)-(3R,4S)-4-amino-1,3-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
895243-98-8 [RN]
(3R,4S)-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate
(3R,4S)-1-TERT-BUTYL-3-ETHYL-4-AMINOPYRROLIDINE-1,3-DICARBOXYLATE
(3R,4S)-Ethyl 1-Boc-4-aminopyrrolidine-3-carboxylate
(3R,4S)-rel-1-tert-Butyl 3-ethyl 4-aminopyrrolidine-1,3-dicarboxylate
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 336.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±3.0 kJ/mol
    Flash Point: 157.3±27.9 °C
    Index of Refraction: 1.489
    Molar Refractivity: 66.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.90
    ACD/LogD (pH 5.5): -1.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.35
    Polar Surface Area: 82 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 41.5±3.0 dyne/cm
    Molar Volume: 228.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement