3-(3-Hydroxy-2-methyl-4-oxopyridin-1(4h)-yl)alanine
Basic information
- CAS
60343-54-6- Standard SMILES
Cc1c(O)c(=O)ccn1CC(N)C(=O)O- InChIKey
ZQVBODVKBPNKEY-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970686
Names & identifiers
- Preferred name
- 3-(3-Hydroxy-2-methyl-4-oxopyridin-1(4h)-yl)alanine
- IUPAC
- 2-amino-3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoic acid
Names & synonyms
60343-54-63-(3-hydroxy-2-methyl-4-oxopyridin-1(4h)-yl)alanineDL-2-MethylmimosineDTXSID309757521(4H)-Pyridinepropanoic acid, alpha-amino-3-hydroxy-2-methyl-4-oxo-
Database identifiers
- CAS
60343-54-6- PubChem CID
- 187971
- DTXSID
DTXSID30975752
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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