ChemSpider 2D Image | (2S,3R)-1-{[4-(5-Anilino-5-oxopentanoyl)-1-piperazinyl]carbonyl}-4-oxo-3-(4-piperidinylmethyl)-2-azetidinecarboxylic acid | C26H35N5O6

(2S,3R)-1-{[4-(5-Anilino-5-oxopentanoyl)-1-piperazinyl]carbonyl}-4-oxo-3-(4-piperidinylmethyl)-2-azetidinecarboxylic acid

  • Molecular FormulaC26H35N5O6
  • Average mass513.586 Da
  • Monoisotopic mass513.258728 Da
  • ChemSpider ID23162899
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,3R)-1-{[4-(5-Anilino-5-oxopentanoyl)-1-piperazinyl]carbonyl}-4-oxo-3-(4-piperidinylmethyl)-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3R)-1-{[4-(5-Anilino-5-oxopentanoyl)-1-piperazinyl]carbonyl}-4-oxo-3-(4-piperidinylmethyl)-2-azetidinecarboxylic acid [ACD/IUPAC Name]
(2S,3R)-4-oxo-1-({4-[5-oxo-5-(phenylamino)pentanoyl]piperazin-1-yl}carbonyl)-3-(piperidin-4-ylmethyl)azetidine-2-carboxylic acid
2-Azetidinecarboxylic acid, 1-[[4-[1,5-dioxo-5-(phenylamino)pentyl]-1-piperazinyl]carbonyl]-4-oxo-3-(4-piperidinylmethyl)-, (2S,3R)- [ACD/Index Name]
Acide (2S,3R)-1-{[4-(5-anilino-5-oxopentanoyl)-1-pipérazinyl]carbonyl}-4-oxo-3-(4-pipéridinylméthyl)-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
(R)-4-Oxo-1-[4-(4-phenylcarbamoyl-butyryl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid
CHEMBL70917

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 384.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement