ChemSpider 2D Image | 1-Benzyl 2-methyl 4-glycyl-1,2-piperazinedicarboxylate | C16H21N3O5

1-Benzyl 2-methyl 4-glycyl-1,2-piperazinedicarboxylate

  • Molecular FormulaC16H21N3O5
  • Average mass335.355 Da
  • Monoisotopic mass335.148132 Da
  • ChemSpider ID28301090

More details:

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

1,2-Piperazinedicarboxylic acid, 4-(2-aminoacetyl)-, 2-methyl 1-(phenylmethyl) ester [ACD/Index Name]
1353943-97-1 [RN]
1-Benzyl 2-methyl 4-(2-aminoacetyl)piperazine-1,2-dicarboxylate
1-Benzyl 2-methyl 4-glycyl-1,2-piperazinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-2-methyl-4-glycyl-1,2-piperazindicarboxylat [German] [ACD/IUPAC Name]
4-Glycyl-1,2-pipérazinedicarboxylate de 1-benzyle et de 2-méthyle [French] [ACD/IUPAC Name]
4-(2-Aminoacetyl)piperazine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
4-(2-Amino-acetyl)piperazine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
4-(2-Amino-acetyl)-piperazine-1,2-dicarboxylic acid 1-benzyl ester 2-methyl ester
MFCD21096800

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

Density: 1.3±0.1 g/cm3
Boiling Point: 517.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.6±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.73
Polar Surface Area: 102 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 259.4±3.0 cm3

Click to predict properties on the Chemicalize site


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