ChemSpider 2D Image | methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate | C11H19NO5

methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate

  • Molecular FormulaC11H19NO5
  • Average mass245.272 Da
  • Monoisotopic mass245.126328 Da
  • ChemSpider ID25056977
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (3S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxopentanoate [ACD/IUPAC Name]
methyl (3S)-3-[(tert-butoxycarbonyl)amino]-4-oxopentanoate
Methyl-(3S)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxopentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, methyl ester, (3S)- [ACD/Index Name]
methyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-oxopentanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 364.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 174.1±25.1 °C
Index of Refraction: 1.451
Molar Refractivity: 60.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.75
ACD/KOC (pH 5.5): 121.78
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.75
ACD/KOC (pH 7.4): 121.67
Polar Surface Area: 82 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 223.4±3.0 cm3

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