ChemSpider 2D Image | (4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenoxy-D-proline | C16H21NO5

(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenoxy-D-proline

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID27472058

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenoxy-D-prolin [German] [ACD/IUPAC Name]
(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenoxy-D-proline [ACD/IUPAC Name]
(4R)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-phénoxy-D-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-phenoxy-, 1-(1,1-dimethylethyl) ester, (2R,4R)- [ACD/Index Name]
(2R,4R)-1-(t-Butoxycarbonyl)-4-phenoxypyrrolidine-2-carboxylic acid
(2R,4R)-1-(tert-butoxycarbonyl)-4-phenoxypyrrolidine-2-carboxylic acid
(2R,4R)-1-[(tert-butoxy)carbonyl]-4-phenoxypyrrolidine-2-carboxylic acid
(2S,4R)-BOC-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID
(2S,4S)-1-(tert-Butoxycarbonyl)-4-phenoxy-2-pyrrolidinecarboxylic acid
(4r)-1-boc-4-phenoxy-d-proline
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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: 455.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 229.4±28.7 °C
    Index of Refraction: 1.550
    Molar Refractivity: 79.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.59
    ACD/LogD (pH 7.4): -0.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 31.4±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 248.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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