N,N,N-Trimethyl-Histidine

[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-trimethylazanium

Also Known As: Hercynine|N,N,N-Trimethyl-Histidine|Nalpha-Trimethylhistidine|Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine|J3.568.054C|N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)|[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]trimethylazanium|[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]trimethylazanium|[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-trimethylazanium|(1S)-1-carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium|(1S)-1-carboxy-2-(1H-imidazol-5-yl)-N,N,N-trimethylethanaminium|1-Carboxy-2-(1H-imidazol-5-yl)-N,N,N-trimethylethan-1-aminium|(1S)-1-Carboxy-2-(1H-imidazol-5-yl)-N,N,N-trimethylethan-1-aminium|[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-trimethylazanium|L-(1-carboxy-2-imidazol-4-ylethyl)trimethyl ammonium hydroxide inner salt|(alpha S)-alpha-Carboxy-N,N,N-trimethyl-1H-imidazole-4-ethanaminium inner salt|(S)-alpha-Carboxy-N,N,N-trimethyl-1H-imidazole-4-ethanaminium hydroxide, inner salt|AVJ

Molecular Formula	C9H16N3O2+
Molecular Weight	198.12425 g/mol
Topological Polar Surface Area	66.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	198.12425
Monoisotopic Mass	198.12425
Heavy Atoms	14
Complexity	213.0

Chemical Identifiers

CAS Number	534-30-5
SMILES	C[N+](C)(C)[C@@H](CC1=CN=CN1)C(=O)O
InChIKey	GPPYTCRVKHULJH-QMMMGPOBSA-O