ChemSpider 2D Image | 2-[(3S)-3-Amino-2-oxo-1-pyrrolidinyl]-N-{(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}acetamide | C29H42N4O4S

2-[(3S)-3-Amino-2-oxo-1-pyrrolidinyl]-N-{(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}acetamide

  • Molecular FormulaC29H42N4O4S
  • Average mass542.733 Da
  • Monoisotopic mass542.292664 Da
  • ChemSpider ID8545572

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Pyrrolidineacetamide, 3-amino-N-[(1S,2S,4R)-1-[[(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl]-2-oxo-, (3S)- [ACD/Index Name]
2-[(3S)-3-Amino-2-oxo-1-pyrrolidinyl]-N-{(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}acetamid [German] [ACD/IUPAC Name]
2-[(3S)-3-Amino-2-oxo-1-pyrrolidinyl]-N-{(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}acetamide [ACD/IUPAC Name]
2-[(3S)-3-Amino-2-oxo-1-pyrrolidinyl]-N-{(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)méthyl]-7,7-diméthylbicyclo[2.2.1]hept-2-yl}acétamide [French] [ACD/IUPAC Name]
2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-N-{(1S,2S,4R)-1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}acetamide
1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-[3-amino-2-oxo-(3S)-tetrahydro-1H-1-pyrrolyl]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.69
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 18.09
ACD/KOC (pH 7.4): 186.38
Polar Surface Area: 121 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 409.7±5.0 cm3

Click to predict properties on the Chemicalize site


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