ChemSpider 2D Image | 3-[Benzyl(methyl)amino]-N-[(benzyloxy)carbonyl]-L-alanine | C19H22N2O4

3-[Benzyl(methyl)amino]-N-[(benzyloxy)carbonyl]-L-alanine

  • Molecular FormulaC19H22N2O4
  • Average mass342.389 Da
  • Monoisotopic mass342.157959 Da
  • ChemSpider ID24609597
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-[Benzyl(methyl)amino]-N-[(benzyloxy)carbonyl]-L-alanin [German] [ACD/IUPAC Name]
3-[Benzyl(methyl)amino]-N-[(benzyloxy)carbonyl]-L-alanine [ACD/IUPAC Name]
3-[Benzyl(méthyl)amino]-N-[(benzyloxy)carbonyl]-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-[methyl(phenylmethyl)amino]-N-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
(2S)-3-[BENZYL(METHYL)AMINO]-2-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOIC ACID
(S)-3-(Benzyl(methyl)amino)-2-(((benzyloxy)carbonyl)amino)propanoic acid
(S)-3-(benzyl(methyl)Amino)-2-(benzyloxycarbonylAmino)propaic acid
(S)-3-(Benzyl(methyl)amino)-2-(benzyloxycarbonylamino)propanoic acid
(S)-3-(benzyl(methyl)amino)-2-(benzyloxycarbonylamino)propanoicacid
(s)-3-[benzyl(methyl)amino]-2-(cbz-amino)propanoic acid
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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: 527.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 272.5±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.10
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.86
Polar Surface Area: 79 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

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