ChemSpider 2D Image | (4R)-N-[(4-Amino-5-pyrimidinyl)methyl]-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-L-prolinamide | C21H30N8O3

(4R)-N-[(4-Amino-5-pyrimidinyl)methyl]-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-L-prolinamide

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID84495114

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-N-[(4-Amino-5-pyrimidinyl)methyl]-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-[(4-Amino-5-pyrimidinyl)methyl]-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-L-prolinamide [ACD/IUPAC Name]
(4R)-N-[(4-Amino-5-pyrimidinyl)méthyl]-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-diméthylbutanoyl]-4-hydroxy-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[(4-amino-5-pyrimidinyl)methyl]-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethyl-1-oxobutyl]-4-hydroxy-, (2S,4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.76
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.64
Polar Surface Area: 152 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 292.8±7.0 cm3

Click to predict properties on the Chemicalize site


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