ATAGABALIN
2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
Molecular Identity
ATAGABALIN
2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
PubChem CID: 9794485
Atagabalin is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
2D Structure
Properties
C10H19NO2
Molecular Formula
185.26
Molecular Weight
g/mol
185.1416
Exact Mass
Da
-1.3
XLogP
Drug-like (Lipinski: < 5)
63.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
193
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ATAGABALIN223445-75-82-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acidAtagabalinaAtagabalineJT7957Q2FBPD-0200390PD02003902-((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)acetic acidDTXSID80944993((3S,4S)-1-Aminomethyl-3,4-dimethylcyclopentyl)acetic acidatagabalinumRefChem:1077326DTXCID401373321CHEMBL593430
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to ATAGABALIN
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