ChemSpider 2D Image | Methyl N~2~-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-asparaginate | C10H18N2O5

Methyl N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-asparaginate

  • Molecular FormulaC10H18N2O5
  • Average mass246.260 Da
  • Monoisotopic mass246.121567 Da
  • ChemSpider ID24609137
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-, methyl ester [ACD/Index Name]
Methyl N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-asparaginate [ACD/IUPAC Name]
Methyl-N2-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-asparaginat [German] [ACD/IUPAC Name]
N2-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-asparaginate de méthyle [French] [ACD/IUPAC Name]
(R)-methyl 4-amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate
(S)-Methyl 4-amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoate
124842-28-0 [RN]
1374669-64-3 [RN]
Boc-Asn-OMe
Methyl (2S)-2-((tert-butoxycarbonyl)amino)-3-carbamoylpropanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 447.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 224.3±27.3 °C
Index of Refraction: 1.472
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 49.78
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 49.76
Polar Surface Area: 108 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 210.6±3.0 cm3

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