ChemSpider 2D Image | UR-144 N-PENTANOIC ACID | C21H27NO3

UR-144 N-PENTANOIC ACID

  • Molecular FormulaC21H27NO3
  • Average mass341.444 Da
  • Monoisotopic mass341.199097 Da
  • ChemSpider ID29341860

More details:

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

1451369-33-7 [RN]
1H-Indole-1-pentanoic acid, 3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]- [ACD/Index Name]
5-{3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}pentanoic acid [ACD/IUPAC Name]
5-{3-[(2,2,3,3-Tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}pentansäure [German] [ACD/IUPAC Name]
Acide 5-{3-[(2,2,3,3-tétraméthylcyclopropyl)carbonyl]-1H-indol-1-yl}pentanoïque [French] [ACD/IUPAC Name]
UR-144 N-PENTANOIC ACID
UR-144 N-pentanoic acid metabolite
5-(3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indol-1-yl)pentanoic acid
5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
UR-144 N-pentanoic acid metabolite-d5

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

1USZ174277 [DBID]
UNII:1USZ174277 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 512.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.8±24.6 °C
Index of Refraction: 1.583
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 243.03
ACD/KOC (pH 5.5): 1027.38
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 16.34
Polar Surface Area: 59 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 294.9±7.0 cm3

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