Basic information
- Standard SMILES
COc1cnn(C)c(=O)c1-c1ccc(CC(N)C(=O)O)cc1- InChIKey
BHAXSXZMQOTXKW-UHFFFAOYSA-N- Molecular formula
- C15H17N3O4
- Average molar mass
- 303.31 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
- IUPAC
- 2-amino-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
Names & synonyms
SCHEMBL4512412
Database identifiers
- PubChem CID
- 69073976
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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