ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-[cyclopropyl(glycyl)amino]-1-piperidinecarboxylate | C15H27N3O3

2-Methyl-2-propanyl (3S)-3-[cyclopropyl(glycyl)amino]-1-piperidinecarboxylate

  • Molecular FormulaC15H27N3O3
  • Average mass297.393 Da
  • Monoisotopic mass297.205231 Da
  • ChemSpider ID28297124
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-[Cyclopropyl(glycyl)amino]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-[(2-aminoacetyl)cyclopropylamino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[cyclopropyl(glycyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[cyclopropyl(glycyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-[(2-Aminoacetyl)cyclopropylamino]piperidine-1-carboxylic acid tert-butyl ester
(S)-3-[(2-Amino-acetyl)-cyclopropyl-amino]piperidine-1-carboxylic acid tert-butyl ester
(S)-3-[(2-Amino-acetyl)-cyclopropyl-amino]-piperidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-(2-amino-N-cyclopropylacetamido)piperidine-1-carboxylate
1353992-90-1 [RN]
MFCD21092407
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 434.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.4±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 35.74
Polar Surface Area: 76 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

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