Basic information
- Standard SMILES
CC(C)(C)[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)O- InChIKey
BDQDFULRMJHWRK-CQSZACIVSA-N- Molecular formula
- C19H25F2N3O4
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.18131261
Names & identifiers
- Preferred name
- (S)-2-(6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)picolinamido)-3,3-dimethylbutanoic acid
- IUPAC
- (2S)-2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoic acid
Names & synonyms
(S)-2-(6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)picolinamido)-3,3-dimethylbutanoic acidSCHEMBL14152531
Database identifiers
- PubChem CID
- 71087773
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 598
Related reactions
4 records
Compound notes
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