ChemSpider 2D Image | Methyl 3-amino-N-{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-D-alaninate | C9H18N2O4

Methyl 3-amino-N-{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-D-alaninate

  • Molecular FormulaC9H18N2O4
  • Average mass218.250 Da
  • Monoisotopic mass218.126663 Da
  • ChemSpider ID57264715

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Amino-N-{hydroxy[(2-méthyl-2-propanyl)oxy]méthylène}-D-alaninate de méthyle [French] [ACD/IUPAC Name]
D-Alanine, 3-amino-N-[(1,1-dimethylethoxy)hydroxymethylene]-, methyl ester [ACD/Index Name]
Methyl 3-amino-N-{hydroxy[(2-methyl-2-propanyl)oxy]methylene}-D-alaninate [ACD/IUPAC Name]
Methyl-3-amino-N-{hydroxy[(2-methyl-2-propanyl)oxy]methylen}-D-alaninat [German] [ACD/IUPAC Name]
(R)-Methyl 3-amino-2-((tert-butoxycarbonyl)amino)propanoate
130622-06-9 [RN]
3-AMINO-N-[(1,1-DIMETHYLETHOXY)CARBONYL]-D-ALANINE METHYL ESTER
methyl (2R)-3-amino-2-[(tert-butoxycarbonyl)amino]propanoate
methyl (2R)-3-amino-2-{[(tert-butoxy)carbonyl]amino}propanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 312.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.2±6.0 kJ/mol
Flash Point: 142.9±30.7 °C
Index of Refraction: 1.477
Molar Refractivity: 53.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 36.5±7.0 dyne/cm
Molar Volume: 188.4±7.0 cm3

Click to predict properties on the Chemicalize site


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