ChemSpider 2D Image | N~2~-[(3R)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-L-lysine | C18H25N3O5

N2-[(3R)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-L-lysine

  • Molecular FormulaC18H25N3O5
  • Average mass363.408 Da
  • Monoisotopic mass363.179413 Da
  • ChemSpider ID23147357

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Lysine, N2-[(3R)-1-(carboxymethyl)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]- [ACD/Index Name]
N2-[(3R)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-L-lysin [German] [ACD/IUPAC Name]
N2-[(3R)-1-(Carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]-L-lysine [ACD/IUPAC Name]
N2-[(3R)-1-(Carboxyméthyl)-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]-L-lysine [French] [ACD/IUPAC Name]
(S)-6-Amino-2-((R)-1-carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-hexanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 271.9±5.0 cm3

Click to predict properties on the Chemicalize site


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