Lbt-999
methyl (1R,2S,3S,5S)-8-[(E)-4-fluorobut-2-enyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Identity
Lbt-999
methyl (1R,2S,3S,5S)-8-[(E)-4-fluorobut-2-enyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID: 57391708
2D Structure
Properties
C20H26FNO2
Molecular Formula
331.40
Molecular Weight
g/mol
331.1948
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
459
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)C2CC3CCC(C2C(=O)OC)N3CC=CCFIsomeric SMILES
SMILES: CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C/C=C/CFSynonyms(18)
LBT-9996WKC8VL781877467-20-4LBT 999LBT999RefChem:152596UNII-6WKC8VL781CHEMBL1947086Flutoltropoateorb1702079BDBM50401015AKOS040747023CS-0083472T256478-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-((2E)-4-FLUORO-2-BUTEN-1-YL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Lbt-999
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