ChemSpider 2D Image | (2R)-3-Cyclopentyl-2-{[formyl(hydroxy)amino]methyl}-N-[(2S)-1-{4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]phenyl}-3,3-dimethyl-1-oxo-2-butanyl]propanamide | C27H41N3O5

(2R)-3-Cyclopentyl-2-{[formyl(hydroxy)amino]methyl}-N-[(2S)-1-{4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]phenyl}-3,3-dimethyl-1-oxo-2-butanyl]propanamide

  • Molecular FormulaC27H41N3O5
  • Average mass487.632 Da
  • Monoisotopic mass487.304626 Da
  • ChemSpider ID23227807

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-3-Cyclopentyl-2-{[formyl(hydroxy)amino]methyl}-N-[(2S)-1-{4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]phenyl}-3,3-dimethyl-1-oxo-2-butanyl]propanamid [German] [ACD/IUPAC Name]
(2R)-3-Cyclopentyl-2-{[formyl(hydroxy)amino]methyl}-N-[(2S)-1-{4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]phenyl}-3,3-dimethyl-1-oxo-2-butanyl]propanamide [ACD/IUPAC Name]
(2R)-3-Cyclopentyl-2-{[formyl(hydroxy)amino]méthyl}-N-[(2S)-1-{4-[(2S)-2-(hydroxyméthyl)-1-pyrrolidinyl]phényl}-3,3-diméthyl-1-oxo-2-butanyl]propanamide [French] [ACD/IUPAC Name]
(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}-N-[(2S)-1-{4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl}-3,3-dimethyl-1-oxobutan-2-yl]propanamide
Cyclopentanepropanamide, α-[(formylhydroxyamino)methyl]-N-[(1S)-1-[4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]benzoyl]-2,2-dimethylpropyl]-, (αR)- [ACD/Index Name]
(R)-2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-N-{(S)-1-[4-((S)-2-hydroxymethyl-pyrrolidin-1-yl)-benzoyl]-2,2-dimethyl-propyl}-propionamide
CHEMBL160513

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: 1.559
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 79.09
ACD/KOC (pH 5.5): 794.22
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 74.79
ACD/KOC (pH 7.4): 751.09
Polar Surface Area: 110 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 416.2±3.0 cm3

Click to predict properties on the Chemicalize site


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