ChemSpider 2D Image | N-{[(2S)-1-Alanyl-2-pyrrolidinyl]methyl}-N-cyclopropylacetamide | C13H23N3O2

N-{[(2S)-1-Alanyl-2-pyrrolidinyl]methyl}-N-cyclopropylacetamide

  • Molecular FormulaC13H23N3O2
  • Average mass253.341 Da
  • Monoisotopic mass253.179031 Da
  • ChemSpider ID28300889

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1401668-31-2 [RN]
Acetamide, N-[[(2S)-1-[(2S)-2-amino-1-oxopropyl]-2-pyrrolidinyl]methyl]-N-cyclopropyl- [ACD/Index Name]
N-{[(2S)-1-[(2S)-2-AMINOPROPANOYL]PYRROLIDIN-2-YL]METHYL}-N-CYCLOPROPYLACETAMIDE
N-{[(2S)-1-Alanyl-2-pyrrolidinyl]methyl}-N-cyclopropylacetamid [German] [ACD/IUPAC Name]
N-{[(2S)-1-Alanyl-2-pyrrolidinyl]methyl}-N-cyclopropylacetamide [ACD/IUPAC Name]
N-{[(2S)-1-Alanyl-2-pyrrolidinyl]méthyl}-N-cyclopropylacétamide [French] [ACD/IUPAC Name]
MFCD21096318
N-(((S)-1-((S)-2-Aminopropanoyl)pyrrolidin-2-yl)methyl)-N-cyclopropylacetamide
N-[(S)-1-((S)-2-Amino-propionyl)-pyrrolidin-2-ylmethyl ]-N-cyclopropyl-acetamide
N-[(S)-1-((S)-2-aminopropionyl)pyrrolidin-2-ylmethyl]-N-cyclopropylacetamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 444.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.6±24.0 °C
Index of Refraction: 1.551
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -3.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 67 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 218.4±5.0 cm3

Click to predict properties on the Chemicalize site


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