ChemSpider 2D Image | 3-{5-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethyl-1-propanaminium | C13H23N4O4

3-{5-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethyl-1-propanaminium

  • Molecular FormulaC13H23N4O4
  • Average mass299.346 Da
  • Monoisotopic mass299.171387 Da
  • ChemSpider ID35031955

  • Charge - Charge

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1H-Imidazole-2-propanaminium, 5-[(2S)-2-amino-2-carboxyethyl]-α-carboxy-N,N,N-trimethyl- [ACD/Index Name]
3-{5-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethyl-1-propanaminium [German] [ACD/IUPAC Name]
3-{5-[(2S)-2-Amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethyl-1-propanaminium [ACD/IUPAC Name]
3-{5-[(2S)-2-Amino-2-carboxyéthyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-triméthyl-1-propanaminium [French] [ACD/IUPAC Name]
(3-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}-1-carboxypropyl)trimethylazanium
2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidine

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: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -5.07
ACD/LogD (pH 5.5): -5.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement