ChemSpider 2D Image | (4-{[(2R)-3,3-Diethyl-1-{[(1S)-1-(4-methylphenyl)butyl]carbamoyl}-4-oxo-2-azetidinyl]oxy}phenyl)acetic acid | C27H34N2O5

(4-{[(2R)-3,3-Diethyl-1-{[(1S)-1-(4-methylphenyl)butyl]carbamoyl}-4-oxo-2-azetidinyl]oxy}phenyl)acetic acid

  • Molecular FormulaC27H34N2O5
  • Average mass466.569 Da
  • Monoisotopic mass466.246765 Da
  • ChemSpider ID103882421
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4-{[(2R)-3,3-Diethyl-1-{[(1S)-1-(4-methylphenyl)butyl]carbamoyl}-4-oxo-2-azetidinyl]oxy}phenyl)acetic acid [ACD/IUPAC Name]
(4-{[(2R)-3,3-Diethyl-1-{[(1S)-1-(4-methylphenyl)butyl]carbamoyl}-4-oxo-2-azetidinyl]oxy}phenyl)essigsäure [German] [ACD/IUPAC Name]
149881-48-1 [RN]
4-[[(2R)-3,3-Diethyl-1-[[[(1S)-1-(4-methylphenyl)butyl]amino]carbonyl]-4-oxo-2-azetidinyl]oxy]benzeneacetic acid
Acide (4-{[(2R)-3,3-diéthyl-1-{[(1S)-1-(4-méthylphényl)butyl]carbamoyl}-4-oxo-2-azétidinyl]oxy}phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[(2R)-3,3-diethyl-1-[[[(1S)-1-(4-methylphenyl)butyl]amino]carbonyl]-4-oxo-2-azetidinyl]oxy]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.567
Molar Refractivity: 129.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 80.42
ACD/KOC (pH 5.5): 371.53
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 5.99
Polar Surface Area: 96 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 396.4±3.0 cm3

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