Basic information
- CAS
24886-03-1- Standard SMILES
C[NH2+][C@@H](Cc1cnc[nH]1)C(=O)[O-]- InChIKey
CYZKJBZEIFWZSR-LURJTMIESA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Overview
N(alpha)-methyl-L-histidine zwitterion is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of Nalpha-methyl-L-histidine. It is a tautomer of a N(alpha)-methyl-L-histidine.
Names & identifiers
- Preferred name
- (2S)-3-(1H-imidazol-4-yl)-2-(methylazaniumyl)propanoate
- IUPAC
- (2S)-3-(1H-imidazol-5-yl)-2-(methylazaniumyl)propanoate
- English name
- N-methyl-L-histidine
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
Nalpha-methyl-L-histidineCHEBI:75895N(alpha)-methyl-L-histidine zwitterion(2S)-3-(1H-imidazol-4-yl)-2-(methylazaniumyl)propanoateN(alpha)-methyl-L-histidineN-methyl-L-histidineHistidine Impurity 14L-Histidine, N-methyl-
Database identifiers
- CAS
24886-03-1- PubChem CID
- 6971273
- ChEBI
CHEBI:75895
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Chemistry & industry
Suppliers1 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
Additional notes
DefinitionChEBI: A Nalpha-methyl-L-histidines that is L-histidine bearing a single methyl substituent at the Nalpha-position
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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