Basic information
- Standard SMILES
COC(=O)CC(C)c1ccc(NC(=O)Cc2ccc(N)c(O)c2)cn1- InChIKey
RGEGHRKWQJFXPZ-UHFFFAOYSA-N- Molecular formula
- C18H21N3O4
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- (RS) Methyl 3-{5-[2-(4-amino-3-hydroxy-phenyl)-acetylamino]-pyridin-2-yl}-butanoate
- IUPAC
- methyl 3-[5-[[2-(4-amino-3-hydroxyphenyl)acetyl]amino]-2-pyridinyl]butanoate
Names & synonyms
SCHEMBL6162335RGEGHRKWQJFXPZ-UHFFFAOYSA-N(RS) Methyl 3-{5-[2-(4-amino-3-hydroxy-phenyl)-acetylamino]-pyridin-2-yl}-butanoate(RS) methyl 3-{5-[2-(4-amino-3-hydroxy-phenyl)-acetylamino]-pyridin-2-yl}-butyrate
Database identifiers
- PubChem CID
- 17946638
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Related reactions
3 records
Linked notes
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