ChemSpider 2D Image | (2S,3R)-4-Oxo-1-{[4-(5-oxo-L-prolyl)-1-piperazinyl]carbonyl}-3-(4-piperidinylmethyl)-2-azetidinecarboxylic acid | C20H29N5O6

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

  • Molecular FormulaC20H29N5O6
  • Average mass435.474 Da
  • Monoisotopic mass435.211792 Da
  • ChemSpider ID23163245

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-4-Oxo-1-{[4-(5-oxo-L-prolyl)-1-piperazinyl]carbonyl}-3-(4-piperidinylmethyl)-2-azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S,3R)-4-Oxo-1-{[4-(5-oxo-L-prolyl)-1-piperazinyl]carbonyl}-3-(4-piperidinylmethyl)-2-azetidinecarboxylic acid [ACD/IUPAC Name]
(2S,3R)-4-oxo-1-{[4-(5-oxo-L-prolyl)piperazin-1-yl]carbonyl}-3-(piperidin-4-ylmethyl)azetidine-2-carboxylic acid
2-Azetidinecarboxylic acid, 4-oxo-1-[[4-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]-1-piperazinyl]carbonyl]-3-(4-piperidinylmethyl)-, (2S,3R)- [ACD/Index Name]
Acide (2S,3R)-4-oxo-1-{[4-(5-oxo-L-prolyl)-1-pipérazinyl]carbonyl}-3-(4-pipéridinylméthyl)-2-azétidinecarboxylique [French] [ACD/IUPAC Name]
(R)-4-Oxo-1-{4-[(S)-oxo-(5-oxo-pyrrolidin-2-yl)-methyl]-piperazine-1-carbonyl}-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -5.30
ACD/LogD (pH 5.5): -4.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 311.3±3.0 cm3

Click to predict properties on the Chemicalize site


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