Basic information
- CAS
51912-15-3- Standard SMILES
C[NH2+]C(Cc1ccc(O)c(O)c1)C(=O)O.[Cl-]- InChIKey
WUBSGPKNROVQMZ-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO4
- Average molar mass
- 247.67 g/mol
- Monoisotopic mass
- 247.0611356
Names & identifiers
- Preferred name
- 3-Hydroxy-N-methyltyrosine--hydrogen chloride (1/1)
- IUPAC
- [1-carboxy-2-(3,4-dihydroxyphenyl)ethyl]-methylazanium chloride
Names & synonyms
51912-15-3DTXSID809662363-Hydroxy-N-methyltyrosine--hydrogen chloride (1/1)RefChem:1067983DTXCID501393883ALANINE, 3-(3,4-DIHYDROXYPHENYL)-N-METHYL-, HYDROCHLORIDE, L-L-Dopa-N-methyl ester hydrochloride3,4-Dihydroxyphenyl-L-alanine-N-methyl ester hydrochloride
Database identifiers
- CAS
51912-15-3- PubChem CID
- 40174
Properties
Computed structural properties
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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