ChemSpider 2D Image | (4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(3-phenylpropyl)-D-proline | C19H27NO4

(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(3-phenylpropyl)-D-proline

  • Molecular FormulaC19H27NO4
  • Average mass333.422 Da
  • Monoisotopic mass333.194000 Da
  • ChemSpider ID128925682

  • 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-(3-phenylpropyl)-D-prolin [German] [ACD/IUPAC Name]
(4R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(3-phenylpropyl)-D-proline [ACD/IUPAC Name]
(4R)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-(3-phénylpropyl)-D-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(3-phenylpropyl)-, 1-(1,1-dimethylethyl) ester, (2R,4R)- [ACD/Index Name]
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
220424-73-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 472.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.5±26.8 °C
Index of Refraction: 1.534
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 15.63
ACD/KOC (pH 5.5): 92.96
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.73
Polar Surface Area: 67 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 294.0±3.0 cm3

Click to predict properties on the Chemicalize site


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