ChemSpider 2D Image | Methyl (4S)-4-amino-1-methyl-D-prolinate | C7H14N2O2

Methyl (4S)-4-amino-1-methyl-D-prolinate

  • Molecular FormulaC7H14N2O2
  • Average mass158.198 Da
  • Monoisotopic mass158.105530 Da
  • ChemSpider ID24188198

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-Amino-1-méthyl-D-prolinate de méthyle [French] [ACD/IUPAC Name]
D-Proline, 4-amino-1-methyl-, methyl ester, (4S)- [ACD/Index Name]
Methyl (4S)-4-amino-1-methyl-D-prolinate [ACD/IUPAC Name]
Methyl-(4S)-4-amino-1-methyl-D-prolinat [German] [ACD/IUPAC Name]
(2R,4S)-methyl 4-amino-1-methylpyrrolidine-2-carboxylate
732241-85-9 [RN]
D-Proline, 4-amino-1-methyl-, methyl ester, (4S)- (9CI)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 205.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.2±3.0 kJ/mol
Flash Point: 78.0±27.3 °C
Index of Refraction: 1.481
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 145.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement