ChemSpider 2D Image | Ethyl (4r)-4-[(Tert-Butoxycarbonyl)amino]-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate | C16H28N2O5

Ethyl (4r)-4-[(Tert-Butoxycarbonyl)amino]-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate

  • Molecular FormulaC16H28N2O5
  • Average mass328.404 Da
  • Monoisotopic mass328.199829 Da
  • ChemSpider ID35035957

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-4-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinepentanoic acid, γ-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, ethyl ester, (γR,3S)- [ACD/Index Name]
Ethyl (4R)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate [ACD/IUPAC Name]
Ethyl (4r)-4-[(Tert-Butoxycarbonyl)amino]-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate
Ethyl-(4R)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoat [German] [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: 509.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.7±23.2 °C
Index of Refraction: 1.476
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.66
ACD/KOC (pH 5.5): 149.52
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.66
ACD/KOC (pH 7.4): 149.52
Polar Surface Area: 94 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 300.1±3.0 cm3

Click to predict properties on the Chemicalize site


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