ChemSpider 2D Image | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | C14H16N2O5

4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID

  • Molecular FormulaC14H16N2O5
  • Average mass292.287 Da
  • Monoisotopic mass292.105927 Da
  • ChemSpider ID25058026

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-{[4-(2,5-Dioxo-1-pyrrolidinyl)phenyl]amino}-4-hydroxybutanoic acid [ACD/IUPAC Name]
(4S)-4-{[4-(2,5-Dioxo-1-pyrrolidinyl)phenyl]amino}-4-hydroxybutansäure [German] [ACD/IUPAC Name]
4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
Acide (4S)-4-{[4-(2,5-dioxo-1-pyrrolidinyl)phényl]amino}-4-hydroxybutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-(2,5-dioxo-1-pyrrolidinyl)phenyl]amino]-4-hydroxy-, (4S)- [ACD/Index Name]
(4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 705.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


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