ChemSpider 2D Image | (1S)-1-Carboxy-5-({[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}amino)-1-pentanaminium | C12H22N3O3


  • Molecular FormulaC12H22N3O3
  • Average mass256.321 Da
  • Monoisotopic mass256.165558 Da
  • ChemSpider ID28532904
  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-1-Carboxy-5-({[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}amino)-1-pentanaminium [German] [ACD/IUPAC Name]
(1S)-1-Carboxy-5-({[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}amino)-1-pentanaminium [ACD/IUPAC Name]
(1S)-1-Carboxy-5-({[(2R,3R)-3-méthyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}amino)-1-pentanaminium [French] [ACD/IUPAC Name]
L-Lysine, N6-[[(2R,3R)-3,4-dihydro-3-methyl-2H-pyrrol-2-yl]carbonyl]-, conjugate monoacid [ACD/Index Name]
  • Miscellaneous
    • Chemical Class:

      An alpha-amino-acid cation that is the conjugate acid of L-pyrrolysine, obtained by deprotonation of the alpha-amino group. ChEBI CHEBI:65258

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 546.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 284.6±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Surface Tension:
Molar Volume:

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