ChemSpider 2D Image | 1-tert-butyl 2-methyl (2S,4S)-4-{[(2-chlorophenyl)methyl]amino}pyrrolidine-1,2-dicarboxylate | C18H25ClN2O4

1-tert-butyl 2-methyl (2S,4S)-4-{[(2-chlorophenyl)methyl]amino}pyrrolidine-1,2-dicarboxylate

  • Molecular FormulaC18H25ClN2O4
  • Average mass368.855 Da
  • Monoisotopic mass368.150299 Da
  • ChemSpider ID21800627

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-[(2-Chlorobenzyl)amino]-1,2-pyrrolidinedicarboxylate de 2-méthyle et de 1-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-[[(2-chlorophenyl)methyl]amino]-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)- [ACD/Index Name]
1186662-56-5 [RN]
1-tert-butyl 2-methyl (2S,4S)-4-{[(2-chlorophenyl)methyl]amino}pyrrolidine-1,2-dicarboxylate
2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-[(2-chlorobenzyl)amino]-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
2-Methyl-1-(2-methyl-2-propanyl)-(2S,4S)-4-[(2-chlorbenzyl)amino]-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-tert-butyl 2-methyl 4-((2-chlorobenzyl)amino)pyrrolidine-1,2-dicarboxylate
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[(2-chlorophenyl)methylamino]pyrrolidine-1,2-dicarboxylate
1-tert-butyl 2-methyl (2S,4S)-4-[(2-chlorobenzyl)amino]pyrrolidine-1,2-dicarboxylate
1-tert-Butyl 2-methyl (2S,4S)-4-[(2-chlorobenzyl)-amino]pyrrolidine-1,2-dicarboxylate
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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: 457.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.8±3.0 kJ/mol
    Flash Point: 230.7±28.7 °C
    Index of Refraction: 1.554
    Molar Refractivity: 96.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 1.43
    ACD/KOC (pH 5.5): 10.37
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 70.43
    ACD/KOC (pH 7.4): 512.23
    Polar Surface Area: 68 Å2
    Polarizability: 38.2±0.5 10-24cm3
    Surface Tension: 47.6±5.0 dyne/cm
    Molar Volume: 300.7±5.0 cm3

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