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Retrosynthesis · AI + evidence

1-Methyl-L-histidine (C7H11N3O2)

1-Methyl-L-histidine presents a C7 framework, aromatic rings, a carboxylic acid (formula C7H11N3O2, CAS 332-80-9). ChemicalTool Reaction can propose ranked disconnections for 1-Methyl-L-histidine from the SMILES Cn1cnc(C[C@H](N)C(=O)O)c1.

Target
1-Methyl-L-histidine
CAS
332-80-9
Formula
C7H11N3O2
Approx. MW
169.18
SMILES
Cn1cnc(C[C@H](N)C(=O)O)c1
PubChem CID
92105
Approx. carbons
C7

1-Methyl-L-histidine structure

Properties

IUPAC name
(2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
Common names
1-Methyl-L-histidine; 332-80-9; 1-Methylhistidine; pi-methylhistidine; L-Histidine, 1-methyl-; Histidine, 1-methyl-, L-; (2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid; 583O01BJ32; DTXSID50186848; NSC-524367
Molecular weight
169.18
Exact mass
169.09
InChIKey
BRMWTNUJHUMWMS-LURJTMIESA-N
Melting point
249 °C

View on PubChem

1-Methyl-L-histidine 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Methyl-L-histidine?

1-Methyl-L-histidine has molecular formula C7H11N3O2. Molecular weight about 169.18 g·mol⁻¹.

What is the CAS number of 1-Methyl-L-histidine?

The CAS Registry Number for 1-Methyl-L-histidine is 332-80-9.

Run AI retrosynthesis for 1-Methyl-L-histidine Target catalog AI tools overview

Open the planner with 1-Methyl-L-histidine preloaded, then keep routes that match CAS 332-80-9.

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H-D-His(tau-Me)-OHCarzenideN-(2-Furoyl)glycine2-amino-2-(4-hydroxyphenyl)acetic acid2-Amino-3-methoxybenzoic acid2-Phenylglycine

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References & tools