Basic information
- CAS
53663-27-7- Standard SMILES
CNC(Cc1ccc(O)c(O)c1)C(=O)O- InChIKey
QZIWDCLHLOADPK-UHFFFAOYSA-N- Molecular formula
- C10H13NO4
- Average molar mass
- 211.21 g/mol
- Monoisotopic mass
- 211.0844579
Overview
N-methyldopa is a tyrosine derivative that is dopa in which one of the hydrogens of the amino group is replaced by a methyl group. It is a hydroxyphenylalanine, a tyrosine derivative and a non-proteinogenic alpha-amino acid. It is functionally related to a dopa.
Names & identifiers
- Preferred name
- 3-Hydroxy-N-methyltyrosine
- IUPAC
- 3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acid
Names & synonyms
3-(3,4-dihydroxyphenyl)-2-(methylamino)propanoic acidN-MethyldopaN-methyl-dopa3-hydroxy-N-methyltyrosineN-methyl-3,4-dihydroxyphenylalanineCHEBI:167648beta-(3,4-dihydroxyphenyl)-N-methyl-alanineRefChem:27994353663-27-7SCHEMBL34002DTXSID601333311VCA15253
Show more names
3,4-dihydroxy-N-methylphenylalanine3-(3,4-dihydroxyphenyl)-2-methylaminopropanoic acid
Database identifiers
- CAS
53663-27-7- PubChem CID
- 40175
- DTXSID
DTXSID601333311- ChEBI
CHEBI:167648
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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