Found 5865 results

Search term: MF = 'C_{20}H_{31}N_{3}O'
ChemSpider 2D Image | (2S)-2-Amino-1-[(2S)-2-{[benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-3-methyl-1-butanone | C20H31N3O

(2S)-2-Amino-1-[(2S)-2-{[benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-3-methyl-1-butanone

  • Molecular FormulaC20H31N3O
  • Average mass329.480 Da
  • Monoisotopic mass329.246704 Da
  • ChemSpider ID28297096

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-1-[(2S)-2-{[benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-3-methyl-1-butanon [German] [ACD/IUPAC Name]
(2S)-2-Amino-1-[(2S)-2-{[benzyl(cyclopropyl)amino]methyl}-1-pyrrolidinyl]-3-methyl-1-butanone [ACD/IUPAC Name]
(2S)-2-Amino-1-[(2S)-2-{[benzyl(cyclopropyl)amino]méthyl}-1-pyrrolidinyl]-3-méthyl-1-butanone [French] [ACD/IUPAC Name]
(2S)-2-AMINO-1-[(2S)-2-{[BENZYL(CYCLOPROPYL)AMINO]METHYL}PYRROLIDIN-1-YL]-3-METHYLBUTAN-1-ONE
1401669-18-8 [RN]
1-Butanone, 2-amino-1-[(2S)-2-[[cyclopropyl(phenylmethyl)amino]methyl]-1-pyrrolidinyl]-3-methyl-, (2S)- [ACD/Index Name]
(S)-2-Amino-1-((S)-2-((benzyl(cyclopropyl)amino)methyl)pyrrolidin-1-yl)-3-methylbutan-1-one
(S)-2-Amino-1-{(S)-2-[(benzyl-cyclopropyl-amino)-methyl ]-pyrrolidin-1-yl}-3-methyl-butan-1-one
(S)-2-Amino-1-{(S)-2-[(benzylcyclopropylamino)methyl]pyrrolidin-1-yl}-3-methyl-butan-1-one
(S)-2-Amino-1-{(S)-2-[(benzyl-cyclopropyl-amino)-methyl]pyrrolidin-1-yl}-3-methyl-butan-1-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 478.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 243.1±23.2 °C
Index of Refraction: 1.579
Molar Refractivity: 98.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.89
Polar Surface Area: 50 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 297.6±5.0 cm3

Click to predict properties on the Chemicalize site


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