ChemSpider 2D Image | 3-{[{[2-(Isobutylamino)-2-oxoethyl]amino}(oxo)acetyl]amino}-4-methylbenzoic acid | C16H21N3O5

3-{[{[2-(Isobutylamino)-2-oxoethyl]amino}(oxo)acetyl]amino}-4-methylbenzoic acid

  • Molecular FormulaC16H21N3O5
  • Average mass335.355 Da
  • Monoisotopic mass335.148132 Da
  • ChemSpider ID27323671

More details:






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

3-{[{[2-(Isobutylamino)-2-oxoethyl]amino}(oxo)acetyl]amino}-4-methylbenzoesäure [German] [ACD/IUPAC Name]
3-{[{[2-(Isobutylamino)-2-oxoethyl]amino}(oxo)acetyl]amino}-4-methylbenzoic acid [ACD/IUPAC Name]
Acide 3-[(2-{[2-(isobutylamino)-2-oxoéthyl]amino}-2-oxoacétyl)amino]-4-méthylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-3-[[2-[[2-[(2-methylpropyl)amino]-2-oxoethyl]amino]-1,2-dioxoethyl]amino]- [ACD/Index Name]
1282142-74-8 [RN]
3-(2-((2-(isobutylamino)-2-oxoethyl)amino)-2-oxoacetamido)-4-methylbenzoic acid
4-METHYL-3-[({[(2-METHYLPROPYL)CARBAMOYL]METHYL}CARBAMOYL)FORMAMIDO]BENZOIC ACID
4-methyl-3-[[2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-2-oxoacetyl]amino]benzoic acid
4-methyl-3-{[({2-[(2-methylpropyl)amino]-2-oxoethyl}amino)(oxo)acetyl]amino}benzoic acid
AGN-PC-09LD9M
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 262.6±3.0 cm3

Click to predict properties on the Chemicalize site






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