ChemSpider 2D Image | Relebactam | C12H20N4O6S


  • Molecular FormulaC12H20N4O6S
  • Average mass348.375 Da
  • Monoisotopic mass348.110352 Da
  • ChemSpider ID31137585
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-7-Oxo-N-(4-piperidinyl)-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octan-2-carboxamid [German] [ACD/IUPAC Name]
(2S,5R)-7-Oxo-N-(4-piperidinyl)-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide [ACD/IUPAC Name]
(2S,5R)-7-Oxo-N-(4-pipéridinyl)-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide [French] [ACD/IUPAC Name]
1,6-Diazabicyclo[3.2.1]octane-2-carboxamide, 7-oxo-N-4-piperidinyl-6-(sulfooxy)-, (2S,5R)- [ACD/Index Name]
1174018-99-5 [RN]
relebactam [Spanish] [INN]
Relebactam [INN] [USAN]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Antibacterial MedChem Express HY-16752
      Anti-infection MedChem Express HY-16752
      Anti-infection; MedChem Express HY-16752
      Relebactam is a diazabicyclooctane inhibitor with activity against a wide spectrum of ?-lactamases, including class A (extended-spectrum ?-lactamases [ESBLs] and KPC) and class C (AmpC) enzymes.; Target: beta-lactamase; Imipenem with Relebactam is active against Escherichia coli, Klebsiella pneumoniae, and Enterobacter spp., including K. MedChem Express HY-16752

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 78.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.82
ACD/LogD (pH 5.5): -5.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site