ChemSpider 2D Image | tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate | C10H19NO3

tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate

  • Molecular FormulaC10H19NO3
  • Average mass201.263 Da
  • Monoisotopic mass201.136490 Da
  • ChemSpider ID27472868

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Hydroxy-2-méthyl-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2S,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S,4S)-4-hydroxy-2-methyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S,4S)-4-hydroxy-2-methyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
477293-60-0 [RN]
tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
(2r,4r)-n-boc-4-hydroxy-2-methylpyrrolidine
(2S, 4S)-4-Hydroxy-2-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester
(2S,?4S)?-4-?HYDROXY-?2-?METHYL-1-?PYRROLIDINECARBOXYLI?C ACID 1,?1-?DIMETHYLETHYL ESTER
(2s,4s)-4-hydroxy-2-methyl-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 282.5±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±6.0 kJ/mol
    Flash Point: 124.7±25.4 °C
    Index of Refraction: 1.489
    Molar Refractivity: 53.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.42
    ACD/LogD (pH 5.5): 0.69
    ACD/BCF (pH 5.5): 1.99
    ACD/KOC (pH 5.5): 56.93
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.99
    ACD/KOC (pH 7.4): 56.93
    Polar Surface Area: 50 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 39.8±3.0 dyne/cm
    Molar Volume: 183.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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