Basic information
- Standard SMILES
CN[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)OC.Cl- InChIKey
ZMJSZISEANFHIN-YDALLXLXSA-N- Molecular formula
- C13H17ClN2O3
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0927701
Names & identifiers
- Preferred name
- N-methyl-5-hydroxytryptophan methyl ester hydrochloride
- IUPAC
- methyl (2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanoate;hydrochloride
Names & synonyms
SCHEMBL5115705ZMJSZISEANFHIN-YDALLXLXSA-NN-methyl-5-hydroxytryptophan methyl ester hydrochloride
Database identifiers
- PubChem CID
- 69317065
Properties
Computed structural properties
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
4 records
Compound notes
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