ChemSpider 2D Image | N~2~-[(1S)-1-Carboxyethyl]-L-arginine | C9H18N4O4

N2-[(1S)-1-Carboxyethyl]-L-arginine

  • Molecular FormulaC9H18N4O4
  • Average mass246.264 Da
  • Monoisotopic mass246.132813 Da
  • ChemSpider ID24606082

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Arginine, N2-[(1S)-1-carboxyethyl]- [ACD/Index Name]
N2-[(1S)-1-Carboxyethyl]-L-arginin [German] [ACD/IUPAC Name]
N2-[(1S)-1-Carboxyethyl]-L-arginine [ACD/IUPAC Name]
N2-[(1S)-1-Carboxyéthyl]-L-arginine [French] [ACD/IUPAC Name]
(2S)-2-[[(1S)-1-carboxylatoethyl]azaniumyl]-5-(diaminomethylideneazaniumyl)pentanoate
(S)-2-(((S)-1-carboxyethyl)amino)-5-guanidinopentanoic acid
34522-32-2 [RN]
63358-47-4 [RN]
Arginine, N2-(1-carboxyethyl)-, L-
L-Allooctopine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 490.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 82.8±6.0 kJ/mol
    Flash Point: 250.2±31.5 °C
    Index of Refraction: 1.593
    Molar Refractivity: 57.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 7
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: -1.82
    ACD/LogD (pH 5.5): -4.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 149 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 60.5±7.0 dyne/cm
    Molar Volume: 168.8±7.0 cm3

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