ChemSpider 2D Image | (3R)-3-[({(3S)-1-[3-(4-Piperidiniumyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoate | C22H32N4O4

(3R)-3-[({(3S)-1-[3-(4-Piperidiniumyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoate

  • Molecular FormulaC22H32N4O4
  • Average mass416.514 Da
  • Monoisotopic mass416.242371 Da
  • ChemSpider ID62397527

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-[({(3S)-1-[3-(4-Piperidiniumyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoat [German] [ACD/IUPAC Name]
(3R)-3-[({(3S)-1-[3-(4-Piperidiniumyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoate [ACD/IUPAC Name]
(3R)-3-[({(3S)-1-[3-(4-Pipéridiniumyl)propanoyl]-3-pipéridinyl}carbonyl)amino]-3-(3-pyridinyl)propanoate [French] [ACD/IUPAC Name]
(3R)-3-[({(3S)-1-[3-(4-Piperidinyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propanoic acid [ACD/IUPAC Name]
(3R)-3-[({(3S)-1-[3-(4-Piperidinyl)propanoyl]-3-piperidinyl}carbonyl)amino]-3-(3-pyridinyl)propansäure [German] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, β-[[[(3S)-1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinyl]carbonyl]amino]-, (βR)- [ACD/Index Name]
Acide (3R)-3-[({(3S)-1-[3-(4-pipéridinyl)propanoyl]-3-pipéridinyl}carbonyl)amino]-3-(3-pyridinyl)propanoïque [French] [ACD/IUPAC Name]
Piperidinium, 4-[3-[(3S)-3-[[[(1R)-2-carboxy-1-(3-pyridinyl)ethyl]amino]carbonyl]-1-piperidinyl]-3-oxopropyl]-, inner salt [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: 719.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 346.2±3.0 cm3

Click to predict properties on the Chemicalize site


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