ChemSpider 2D Image | (2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid | C21H30N2O4

(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid

  • Molecular FormulaC21H30N2O4
  • Average mass374.474 Da
  • Monoisotopic mass374.220551 Da
  • ChemSpider ID25057551

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(1H-Indol-3-yl)-8-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)octanoic acid [ACD/IUPAC Name]
(2S)-2-(1H-Indol-3-yl)-8-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)octansäure [German] [ACD/IUPAC Name]
(2S)-8-[(tert-butoxycarbonyl)amino]-2-(1H-indol-3-yl)octanoic acid
1H-Indole-3-acetic acid, α-[6-[[(1,1-dimethylethoxy)carbonyl]amino]hexyl]-, (αS)- [ACD/Index Name]
Acide (2S)-2-(1H-indol-3-yl)-8-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)octanoïque [French] [ACD/IUPAC Name]
(2S)-8-{[(tert-butoxy)carbonyl]amino}-2-(1H-indol-3-yl)octanoic acid
2S8

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 310.0±28.7 °C
Index of Refraction: 1.568
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 528.46
ACD/KOC (pH 5.5): 2059.69
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 9.09
ACD/KOC (pH 7.4): 35.42
Polar Surface Area: 91 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 324.0±3.0 cm3

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