2-[[6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoic acid (HCID 71087774)

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Basic information

Standard SMILES: CC(C)(C)C(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)O
InChIKey: BDQDFULRMJHWRK-UHFFFAOYSA-N
Molecular formula: C19H25F2N3O4
Average molar mass: 397.4 g/mol

Names & identifiers

Preferred name: 2-[[6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoic acid
IUPAC: 2-[[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoic acid

Names & synonyms

SCHEMBL14152532BDQDFULRMJHWRK-UHFFFAOYSA-N2-[[6-(Cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]amino]-3,3-dimethylbutanoic acid

Database identifiers

PubChem CID: 71087774

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 91.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 598

Related reactions

2 records

New reaction record

HRID 117606As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 184597As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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