Imagabalin
(3S,5R)-3-amino-5-methyloctanoic acid
Molecular Identity
Imagabalin
(3S,5R)-3-amino-5-methyloctanoic acid
PubChem CID: 10236037
2D Structure
Properties
C9H19NO2
Molecular Formula
173.25
Molecular Weight
g/mol
173.1416
Exact Mass
Da
-0.7
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
136
Complexity
SMILES
Canonical SMILES
SMILES: CCCC(C)CC(CC(=O)O)NIsomeric SMILES
SMILES: CCC[C@@H](C)C[C@@H](CC(=O)O)NSynonyms(20)
IMAGABALIN610300-07-7(3S,5R)-3-AMINO-5-METHYLOCTANOIC ACIDImagabalinaImagabalineNDG6931B7HPF-00195889pd0332334PD-0332334(3s,5r)-3-amino-5-methyl-octanoic acidPD 0332334Octanoic acid, 3-amino-5-methyl-, (3S,5R)-DTXSID00976534imagabalinumRefChem:790599
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Imagabalin
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