ChemSpider 2D Image | (2S)-1-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxo-2-butanaminium | C13H24N5O3

(2S)-1-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxo-2-butanaminium

  • Molecular FormulaC13H24N5O3
  • Average mass298.361 Da
  • Monoisotopic mass298.187378 Da
  • ChemSpider ID26329943

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxo-2-butanaminium [German] [ACD/IUPAC Name]
(2S)-1-Amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxo-2-butanaminium [ACD/IUPAC Name]
(2S)-1-Amino-4-{4-[(2S)-2-amino-2-carboxyéthyl]-1H-imidazol-2-yl}-N,N,N-triméthyl-1-oxo-2-butanaminium [French] [ACD/IUPAC Name]
1H-Imidazole-2-propanaminium, α-(aminocarbonyl)-4-[(2S)-2-amino-2-carboxyethyl]-N,N,N-trimethyl-, (αS)- [ACD/Index Name]
(2S)-1-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxobutan-2-aminium
(2S)-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylazaniumyl)butyl]-1H-imidazol-4-yl}-2-azaniumylpropanoate
[(1S)-3-{4-[(2S)-2-amino-2-carboxyethyl]imidazol-2-yl}-1-carbamoylpropyl]trimethylazanium
2-(3-Carboxyamido-3-(trimethylammonio)propyl)histidine
2-[(3R)-3-carbamoyl-3-(trimethylammonio)propyl]-L-histidine
75645-22-6 [RN]
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  • Miscellaneous

    • Chemical Class:

      A quaternary ammonium ion that is the derivative of L-histidine having a 4-amino-4-oxo-3-(trimethylammonio)butyl group at the 2-position of the imidazole ring. ChEBI CHEBI:15949
      A zwitterionic tautomer of diphthamide having an anionic carboxy group and a protonated primary amino group. ChEBI CHEBI:57580

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -6.02
ACD/LogD (pH 5.5): -6.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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