Atagabalin

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via 3Dmol.js
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Physical properties []
Molecular mass	185.26 g/mol [1]
Predicted LogP	-1.3 [1]

Structural Identifiers []
Molecular formula	C10H19NO2 [1]
IUPAC name	2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid [1]
SMILES	C[C@H]1CC(C[C@@H]1C)(CC(=O)O)CN [1]
InChI	InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1 [1]
InChIKey	IUVMAUQEZFTTFB-YUMQZZPRSA-N [1]

Atagabalin

Atagabalin (also known as 2-((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)acetic acid, (3S,4s)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid, trans-dimethyl gababutin, Cyclopentaneacetic acid, 1-(aminomethyl)-3,4-dimethyl-, (3S,4S)-, Atagabalina, Atagabaline, ((3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl)acetic acid, [(3S,4S)-1-(Aminomethyl)-3,4-dimethylcyclopentyl]acetic acid, DB12032 or HY-14856) is a substance of the gabapentinoid class.

Chemistry