Atagabalin structure

Atagabalin

2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid

Also Known As: Atagabalina|Atagabaline|atagabalinum|Atagabalin [USAN]|trans-dimethyl gababutin|Atagabalin [USAN:INN]|ATAGABALIN [INN]|Atagabalin (USAN/INN)|ATAGABALIN [WHO-DD]|2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid|PD 0200390|AN-5147|PD-0200,390|2-((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)acetic acid|(1-aminomethyl-3,4-dimethylcyclopentyl)acetic acid|((3S,4S)-1-Aminomethyl-3,4-dimethylcyclopentyl)acetic acid|(3S,4S)-1-(AMINOMETHYL)-3,4-DIMETHYLCYCLOPENTYL]ACETIC ACID|[(3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl]acetic acid|2-[1-(aminomethyl)-3,4-dimethyl-cyclopentyl]acetic Acid|Cyclopentaneacetic acid, 1-(aminomethyl)-3,4-dimethyl-, (3S,4S)-|((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)acetic acid|2-((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)aceticacid|2-[(3S,4S)-1-(aminomethyl)-3,4-dimethyl-cyclopentyl]acetic acid|3,4-trans-2-(1-(aminomethyl)-3,4-dimethylcyclopentyl)acetic acid

CAS: 223445-75-8
Molecular Formula C10H19NO2
Molecular Weight 185.14159 g/mol
LogP 1.4722
Topological Polar Surface Area 63.32 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
Rotatable Bonds 3
Exact Mass 185.14159
Monoisotopic Mass 185.14159
Heavy Atoms 13
Complexity 193.10143

Chemical Identifiers

CAS Number 223445-75-8
SMILES C[C@H]1CC(C[C@@H]1C)(CC(=O)O)CN

Product Overview

Atagabalin (CAS 223445-75-8), with molecular formula C10H19NO2 and molecular weight 185.14159 g/mol. IUPAC: 2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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