ChemSpider 2D Image | 3-({N-[(Adamantan-2-yloxy)carbonyl]-alpha-methyltryptophyl}amino)-4-(4-aminophenyl)butanoic acid | C33H40N4O5

3-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyltryptophyl}amino)-4-(4-aminophenyl)butanoic acid

  • Molecular FormulaC33H40N4O5
  • Average mass572.695 Da
  • Monoisotopic mass572.299866 Da
  • ChemSpider ID8161109

More details:






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

3-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyltryptophyl}amino)-4-(4-aminophenyl)butanoic acid [ACD/IUPAC Name]
3-({N-[(Adamantan-2-yloxy)carbonyl]-α-methyltryptophyl}amino)-4-(4-aminophenyl)butansäure [German] [ACD/IUPAC Name]
Acide 3-({N-[(adamantan-2-yloxy)carbonyl]-α-méthyltryptophyl}amino)-4-(4-aminophényl)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-amino-β-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 879.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 66.59
ACD/KOC (pH 5.5): 292.36
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 5.65
Polar Surface Area: 147 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 430.8±5.0 cm3

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