ChemSpider 2D Image | {(3aS,6aR)-3-[3-(4-Morpholinyl)propyl]-2-oxohexahydro-5H-pyrrolo[3,4-d][1,3]oxazol-5-yl}acetic acid | C14H23N3O5

{(3aS,6aR)-3-[3-(4-Morpholinyl)propyl]-2-oxohexahydro-5H-pyrrolo[3,4-d][1,3]oxazol-5-yl}acetic acid

  • Molecular FormulaC14H23N3O5
  • Average mass313.349 Da
  • Monoisotopic mass313.163757 Da
  • ChemSpider ID29583377

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(3aS,6aR)-3-[3-(4-Morpholinyl)propyl]-2-oxohexahydro-5H-pyrrolo[3,4-d][1,3]oxazol-5-yl}acetic acid [ACD/IUPAC Name]
{(3aS,6aR)-3-[3-(4-Morpholinyl)propyl]-2-oxohexahydro-5H-pyrrolo[3,4-d][1,3]oxazol-5-yl}essigsäure [German] [ACD/IUPAC Name]
5H-Pyrrolo[3,4-d]oxazole-5-acetic acid, hexahydro-3-[3-(4-morpholinyl)propyl]-2-oxo-, (3aS,6aR)- [ACD/Index Name]
Acide {(3aS,6aR)-3-[3-(4-morpholinyl)propyl]-2-oxohexahydro-5H-pyrrolo[3,4-d][1,3]oxazol-5-yl}acétique [French] [ACD/IUPAC Name]
[(3aS*,6aR*)-3-(3-morpholin-4-ylpropyl)-2-oxohexahydro-5H-pyrrolo[3,4-d][1,3]oxazol-5-yl]acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.8±6.0 kJ/mol
Flash Point: 300.0±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 243.5±3.0 cm3

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