Basic information
- Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(-c2c(C)ccn(C)c2=O)cc1.Cl- InChIKey
MSMZPWQOVORPGI-UQKRIMTDSA-N- Molecular formula
- C17H21ClN2O3
- Average molar mass
- 336.8 g/mol
Names & identifiers
- Preferred name
- 4-(1,4-dimethyl-2-oxo-3-pyridinyl)-L-phenylalanine methyl ester hydrochloride salt
- IUPAC
- methyl (2S)-2-amino-3-[4-(1,4-dimethyl-2-oxo-3-pyridinyl)phenyl]propanoate;hydrochloride
Names & synonyms
SCHEMBL6238292MSMZPWQOVORPGI-UQKRIMTDSA-N4-(1,4-dimethyl-2-oxo-3-pyridinyl)-L-phenylalanine methyl ester hydrochloride salt
Database identifiers
- PubChem CID
- 69716224
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 502
Related reactions
6 records
Compound notes
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