ChemSpider 2D Image | Benzyl 3-{[alanyl(cyclopropyl)amino]methyl}-1-piperidinecarboxylate | C20H29N3O3

Benzyl 3-{[alanyl(cyclopropyl)amino]methyl}-1-piperidinecarboxylate

  • Molecular FormulaC20H29N3O3
  • Average mass359.463 Da
  • Monoisotopic mass359.220886 Da
  • ChemSpider ID28298025

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1354027-77-2 [RN]
1-Piperidinecarboxylic acid, 3-[[[(2S)-2-amino-1-oxopropyl]cyclopropylamino]methyl]-, phenylmethyl ester [ACD/Index Name]
3-{[Alanyl(cyclopropyl)amino]méthyl}-1-pipéridinecarboxylate de benzyle [French] [ACD/IUPAC Name]
BENZYL 3-{[(2S)-2-AMINO-N-CYCLOPROPYLPROPANAMIDO]METHYL}PIPERIDINE-1-CARBOXYLATE
Benzyl 3-{[alanyl(cyclopropyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
Benzyl-3-{[alanyl(cyclopropyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{[((S)-2-Amino-propionyl)-cyclopropyl-amino]-methyl }-piperidine-1-carboxylic acid benzyl ester
3-{[((S)-2-aminopropionyl)cyclopropylamino]methyl}piperidine-1-carboxylic acid benzyl ester
3-{[((S)-2-aminopropionyl)-cyclopropyl-amino]-methyl}piperidine-1-carboxylic acid benzyl ester
3-{[((S)-2-Amino-propionyl)-cyclopropyl-amino]-methyl}-piperidine-1-carboxylic acid benzyl ester
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.3±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.7±28.2 °C
Index of Refraction: 1.587
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.03
Polar Surface Area: 76 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 299.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement