4-[1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl ester

HCID 69716708
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Basic information

Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(-c2c(C)cc(C(F)(F)F)n(C)c2=O)cc1
InChIKey
RQZJZDLQOQCYSK-ZDUSSCGKSA-N
Molecular formula
C18H19F3N2O3
Average molar mass
368.3 g/mol

Names & identifiers

Preferred name
4-[1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl ester
IUPAC
methyl (2S)-2-amino-3-[4-[1,4-dimethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]phenyl]propanoate

Names & synonyms

4-[1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl esterSCHEMBL6239532

Database identifiers

PubChem CID
69716708

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
72.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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