Basic information
- Standard SMILES
CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)O- InChIKey
ZISPKNCFJPEARQ-UHFFFAOYSA-N- Molecular formula
- C19H25F2N3O4
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.18131261
Names & identifiers
- Preferred name
- 2-(6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)picolinamido)-2-ethylbutanoic acid
- IUPAC
- 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoic acid
Names & synonyms
2-(6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)picolinamido)-2-ethylbutanoic acidCHEMBL3914029SCHEMBL14152449SCHEMBL31325624BDBM210495US9290451, 207
Database identifiers
- PubChem CID
- 71087739
- ChEMBL
CHEMBL3914029
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
Related reactions
7 records
Compound notes
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