ChemSpider 2D Image | (4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(2-propyn-1-yl)-D-proline | C13H19NO4

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(2-propyn-1-yl)-D-proline

  • Molecular FormulaC13H19NO4
  • Average mass253.294 Da
  • Monoisotopic mass253.131409 Da
  • ChemSpider ID109487106

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(2-propin-1-yl)-D-prolin [German] [ACD/IUPAC Name]
(4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(2-propyn-1-yl)-D-proline [ACD/IUPAC Name]
(4S)-1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-(2-propyn-1-yl)-D-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-(2-propyn-1-yl)-, 1-(1,1-dimethylethyl) ester, (2R,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 377.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 181.8±23.7 °C
Index of Refraction: 1.508
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.76
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

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