ChemSpider 2D Image | 2-Methyl-2-propanyl (3R,4R)-3-[(4,4-dimethoxybutyl)amino]-4-hydroxy-1-pyrrolidinecarboxylate | C15H30N2O5

2-Methyl-2-propanyl (3R,4R)-3-[(4,4-dimethoxybutyl)amino]-4-hydroxy-1-pyrrolidinecarboxylate

  • Molecular FormulaC15H30N2O5
  • Average mass318.409 Da
  • Monoisotopic mass318.215485 Da
  • ChemSpider ID58216011

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4R)-3-[(4,4-Diméthoxybutyl)amino]-4-hydroxy-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 3-[(4,4-dimethoxybutyl)amino]-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R,4R)-3-[(4,4-dimethoxybutyl)amino]-4-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R,4R)-3-[(4,4-dimethoxybutyl)amino]-4-hydroxy-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
2381475-55-2 [RN]
MFCD30495081
tert-butyl (3R,4R)-3-(4,4-dimethoxybutylamino)-4-hydroxypyrrolidine-1-carboxylate
tert-butyl (3R,4R)-3-[(4,4-dimethoxybutyl)amino]-4-hydroxypyrrolidine-1-carboxylate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 428.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.9±6.0 kJ/mol
    Flash Point: 212.7±28.7 °C
    Index of Refraction: 1.497
    Molar Refractivity: 83.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: -0.12
    ACD/LogD (pH 5.5): -2.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.09
    Polar Surface Area: 80 Å2
    Polarizability: 33.2±0.5 10-24cm3
    Surface Tension: 42.0±5.0 dyne/cm
    Molar Volume: 286.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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