ChemSpider 2D Image | 3-[(3R,4S)-1-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-4-(4-morpholinyl)-3-piperidinyl]propanoic acid | C18H26N4O6

3-[(3R,4S)-1-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-4-(4-morpholinyl)-3-piperidinyl]propanoic acid

  • Molecular FormulaC18H26N4O6
  • Average mass394.422 Da
  • Monoisotopic mass394.185242 Da
  • ChemSpider ID29513178

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(3R,4S)-1-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-4-(4-morpholinyl)-3-piperidinyl]propanoic acid [ACD/IUPAC Name]
3-[(3R,4S)-1-[(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetyl]-4-(4-morpholinyl)-3-piperidinyl]propansäure [German] [ACD/IUPAC Name]
3-Piperidinepropanoic acid, 4-(4-morpholinyl)-1-[2-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)acetyl]-, (3R,4S)- [ACD/Index Name]
Acide 3-[(3R,4S)-1-[2-(2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)acétyl]-4-(4-morpholinyl)-3-pipéridinyl]propanoïque [French] [ACD/IUPAC Name]
3-{(3R*,4S*)-1-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetyl]-4-morpholin-4-ylpiperidin-3-yl}propanoic acid

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: 1.557
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 298.5±3.0 cm3

Click to predict properties on the Chemicalize site


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