ChemSpider 2D Image | 3-[(2r,5r,7s)-2,5,7-Trimethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl]propanoic acid | C14H22N2O3

3-[(2r,5r,7s)-2,5,7-Trimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]dec-2-yl]propanoic acid

  • Molecular FormulaC14H22N2O3
  • Average mass266.336 Da
  • Monoisotopic mass266.163055 Da
  • ChemSpider ID24600592

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1,3-Diazatricyclo[3.3.1.13,7]decane-2-propanoic acid, 2,5,7-trimethyl-6-oxo- [ACD/Index Name]
3-[(2r,5r,7s)-2,5,7-Trimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]dec-2-yl]propanoic acid [ACD/IUPAC Name]
3-[(2r,5r,7s)-2,5,7-Trimethyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]dec-2-yl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(2r,5r,7s)-2,5,7-triméthyl-6-oxo-1,3-diazatricyclo[3.3.1.13,7]déc-2-yl]propanoïque [French] [ACD/IUPAC Name]
331424-97-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 420.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±6.0 kJ/mol
Flash Point: 208.3±27.3 °C
Index of Refraction: 1.587
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.11
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 209.1±5.0 cm3

Click to predict properties on the Chemicalize site


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