ChemSpider 2D Image | {1-[(3S)-4-{[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid | C16H22N4O6

{1-[(3S)-4-{[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid

  • Molecular FormulaC16H22N4O6
  • Average mass366.369 Da
  • Monoisotopic mass366.153931 Da
  • ChemSpider ID25059254

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{1-[(3S)-4-{[(1S)-2-(benzylamino)-1-methyl-2-oxoethyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
{1-[(3S)-4-{[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid [ACD/IUPAC Name]
{1-[(3S)-4-{[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}essigsäure [German] [ACD/IUPAC Name]
Acide {1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-4-oxobutanoyl]hydrazino}acétique [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-4-[[(1S)-1-methyl-2-oxo-2-[(phenylmethyl)amino]ethyl]amino]-4-oxo-, 1-[1-(carboxymethyl)hydrazide], (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

Click to predict properties on the Chemicalize site


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