ChemSpider 2D Image | N-{[(2S,3S,4S)-2-Carboxy-4-isopropenyl-3-pyrrolidinyl]acetyl}glutamic acid | C15H22N2O7

N-{[(2S,3S,4S)-2-Carboxy-4-isopropenyl-3-pyrrolidinyl]acetyl}glutamic acid

  • Molecular FormulaC15H22N2O7
  • Average mass342.344 Da
  • Monoisotopic mass342.142700 Da
  • ChemSpider ID23152165
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

Acide N-{2-[(2S,3S,4S)-2-carboxy-4-isopropényl-3-pyrrolidinyl]acétyl}glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[2-[(2S,3S,4S)-2-carboxy-4-(1-methylethenyl)-3-pyrrolidinyl]acetyl]- [ACD/Index Name]
N-{[(2S,3S,4S)-2-carboxy-4-(prop-1-en-2-yl)pyrrolidin-3-yl]acetyl}glutamic acid
N-{[(2S,3S,4S)-2-Carboxy-4-isopropenyl-3-pyrrolidinyl]acetyl}glutamic acid [ACD/IUPAC Name]
N-{[(2S,3S,4S)-2-Carboxy-4-isopropenyl-3-pyrrolidinyl]acetyl}glutaminsäure [German] [ACD/IUPAC Name]
2-[2-(2-Carboxy-4-isopropenyl-pyrrolidin-3-yl)-acetylamino]-pentanedioic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±6.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 80.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 258.2±3.0 cm3

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