tert-butyl 4-((S)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate

HCID 67469764
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(N2CC[C@H](Nc3ccc(S(C)(=O)=O)cc3F)C2=O)C(C)(C)C1
InChIKey
UKGWRKBYMYMVFF-OYKVQYDMSA-N
Molecular formula
C23H34FN3O5S
Average molar mass
483.6 g/mol
Monoisotopic mass
483.22032053

Names & identifiers

Preferred name
tert-butyl 4-((S)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate
IUPAC
tert-butyl 4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-3,3-dimethylpiperidine-1-carboxylate

Names & synonyms

SCHEMBL2597092UKGWRKBYMYMVFF-OYKVQYDMSA-Ntert-butyl 4-((S)-3-(2-fluoro-4-(methylsulfonyl)phenylamino)-2-oxopyrrolidin-1-yl)-3,3-dimethylpiperidine-1-carboxylate

Database identifiers

PubChem CID
67469764

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
104 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

Related reactions

2 records
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Compound notes

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