ChemSpider 2D Image | 2-[3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoic acid | C21H29N3O4

2-[3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoic acid

  • Molecular FormulaC21H29N3O4
  • Average mass387.473 Da
  • Monoisotopic mass387.215820 Da
  • ChemSpider ID22547113

More details:

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

2-[3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoic acid [ACD/IUPAC Name]
2-[3-(4-Aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutansäure [German] [ACD/IUPAC Name]
Acide 2-[3-(4-aminobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phénylbutanoïque [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-2(1H)-acetic acid, 3-(4-aminobutyl)hexahydro-1,4-dioxo-α-(2-phenylethyl)- [ACD/Index Name]
2-[3-(4-AMINOBUTYL)-1,4-DIOXO-TETRAHYDRO-3H-PYRROLO[1,2-A]PIPERAZIN-2-YL]-4-PHENYLBUTANOIC ACID
2-[3-(4-ammoniobutyl)-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-4-phenylbutanoate
Lisinopril (8R,S)-diketopiperazine
Lisinopril (8R,S)-Diketopiperazine (Mixture of Diastereomers)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.4±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 304.2±5.0 cm3

Click to predict properties on the Chemicalize site


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