ChemSpider 2D Image | (2S,4S)-1-tert-butoxycarbonyl-4-tert-butyl-pyrrolidine-2-carboxylic acid | C14H25NO4

(2S,4S)-1-tert-butoxycarbonyl-4-tert-butyl-pyrrolidine-2-carboxylic acid

  • Molecular FormulaC14H25NO4
  • Average mass271.353 Da
  • Monoisotopic mass271.178345 Da
  • ChemSpider ID21176430

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-(2-Methyl-2-propanyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-(2-Méthyl-2-propanyl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-proline [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 373.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.2±6.0 kJ/mol
Flash Point: 179.9±25.9 °C
Index of Refraction: 1.491
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 3.09
ACD/KOC (pH 5.5): 29.40
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 245.5±3.0 cm3

Click to predict properties on the Chemicalize site


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