ChemSpider 2D Image | (3S)-3-Amino-4-methoxy-4-oxobutanoate | C5H8NO4

(3S)-3-Amino-4-methoxy-4-oxobutanoate

  • Molecular FormulaC5H8NO4
  • Average mass146.122 Da
  • Monoisotopic mass146.045883 Da
  • ChemSpider ID23345939

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-4-methoxy-4-oxobutanoat [German] [ACD/IUPAC Name]
(3S)-3-Amino-4-methoxy-4-oxobutanoate [ACD/IUPAC Name]
(3S)-3-Amino-4-méthoxy-4-oxobutanoate [French] [ACD/IUPAC Name]
L-Aspartic acid, 1-methyl ester, ion(1-) [ACD/Index Name]
17812-32-7 [RN]
1-Methyl L-aspartate
68812-95-3 [RN]

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

Density:
Boiling Point: 272.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.2±6.0 kJ/mol
Flash Point: 118.7±24.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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