ChemSpider 2D Image | (1S,3S,4S)-3-[(1R)-1-Acetamido-2-(4-morpholinyl)-2-oxoethyl]-4-carbamimidamidocyclopentanecarboxylic acid | C15H25N5O5

(1S,3S,4S)-3-[(1R)-1-Acetamido-2-(4-morpholinyl)-2-oxoethyl]-4-carbamimidamidocyclopentanecarboxylic acid

  • Molecular FormulaC15H25N5O5
  • Average mass355.389 Da
  • Monoisotopic mass355.185577 Da
  • ChemSpider ID62423655

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3R,4S)-3-[(1R)-1-Acetamido-2-(4-morpholinyl)-2-oxoethyl]-4-[(diaminomethylen)ammonio]cyclopentancarboxylat [German] [ACD/IUPAC Name]
(1S,3R,4S)-3-[(1R)-1-Acetamido-2-(4-morpholinyl)-2-oxoethyl]-4-[(diaminomethylene)ammonio]cyclopentanecarboxylate [ACD/IUPAC Name]
(1S,3R,4S)-3-[(1R)-1-Acétamido-2-(4-morpholinyl)-2-oxoéthyl]-4-[(diaminométhylène)ammonio]cyclopentanecarboxylate [French] [ACD/IUPAC Name]
(1S,3S,4S)-3-[(1R)-1-Acetamido-2-(4-morpholinyl)-2-oxoethyl]-4-carbamimidamidocyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,3S,4S)-3-[(1R)-1-Acetamido-2-(4-morpholinyl)-2-oxoethyl]-4-carbamimidamidocyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,3S,4S)-3-[(1R)-1-acétamido-2-(4-morpholinyl)-2-oxoéthyl]-4-carbamimidamidocyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanaminium, 2-[(1R)-1-(acetylamino)-2-(4-morpholinyl)-2-oxoethyl]-4-carboxy-N-(diaminomethylene)-, inner salt, (1S,2R,4S)- [ACD/Index Name]
Cyclopentanecarboxylic acid, 3-[(1R)-1-(acetylamino)-2-(4-morpholinyl)-2-oxoethyl]-4-[(aminoiminomethyl)amino]-, (1S,3S,4S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.41
ACD/LogD (pH 5.5): -4.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 225.6±7.0 cm3

Click to predict properties on the Chemicalize site


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