Found 1 result

Search term: XTGWWGRMXKSWQM-VIFPVBQESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-3-(1H-Imidazol-4-yl)-2-(1H-pyrrol-1-yl)propanoic acid | C10H11N3O2

(2S)-3-(1H-Imidazol-4-yl)-2-(1H-pyrrol-1-yl)propanoic acid

  • Molecular FormulaC10H11N3O2
  • Average mass205.213 Da
  • Monoisotopic mass205.085129 Da
  • ChemSpider ID26958718

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(1H-Imidazol-4-yl)-2-(1H-pyrrol-1-yl)propanoic acid [ACD/IUPAC Name]
(2S)-3-(1H-Imidazol-4-yl)-2-(1H-pyrrol-1-yl)propansäure [German] [ACD/IUPAC Name]
1H-Imidazole-4-propanoic acid, α-1H-pyrrol-1-yl-, (αS)- [ACD/Index Name]
Acide (2S)-3-(1H-imidazol-4-yl)-2-(1H-pyrrol-1-yl)propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.3±27.3 °C
Index of Refraction: 1.651
Molar Refractivity: 55.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 151.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement