ChemSpider 2D Image | 5-[(1-Carboxyethyl)amino]-2,5-dioxopentanoic acid | C8H11NO6

5-[(1-Carboxyethyl)amino]-2,5-dioxopentanoic acid

  • Molecular FormulaC8H11NO6
  • Average mass217.176 Da
  • Monoisotopic mass217.058640 Da
  • ChemSpider ID29781504

More details:






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

5-[(1-Carboxyethyl)amino]-2,5-dioxopentanoic acid [ACD/IUPAC Name]
5-[(1-Carboxyethyl)amino]-2,5-dioxopentansäure [German] [ACD/IUPAC Name]
Acide 5-[(1-carboxyéthyl)amino]-2,5-dioxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(1-carboxyethyl)amino]-2,5-dioxo- [ACD/Index Name]
5-((1-carboxyethyl)amino)-2,5-dioxopentanoic acid
856946-18-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 530.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 274.7±25.9 °C
Index of Refraction: 1.510
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -6.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 153.3±3.0 cm3

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