Molecular properties
- Formula
- C8H17NO2
- Molar mass
- 159.23 g·mol−1
- Exact mass
- 159.1259 Da
- 1
- PubChem CID
- 5486971
Molecule record
(3S)-3-(aminomethyl)-5-methylhexanoic acid
C8H17NO2
159.23 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Carboxylic acid
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (R-)-3-isobutyl GABA
- (S)-3-(Aminomethyl)-5-methylhexanoic acid
- (S)-3-Isobutyl GABA
- 148553-50-8
- 3-isobutyl GABA
- 55JG375S6M
- CI-1008
- DTXCID9025950
Show all 24 synonyms
- DTXSID1045950
- Hexanoic acid, 3-(aminomethyl)-5-methyl-, (S)-
- LYRICA CR
- Lyrica
- NSC-759256
- PD-144723
- PREGABALIN MYLAN PHARMA
- Pregabalin
- Pregabalin mylan
- Pregabalin sandoz
- Pregabalin sandoz gmbh
- Pregabalin zentiva
- Pregabalina
- Pregabaline
- Vronogabic
- YNP-1807
Structure identifiers
- Canonical SMILES
- CC(C)C[C@H](CN)CC(=O)O
- Isomeric SMILES
- CC(C)C[C@@H](CC(=O)O)CN
- InChI
- InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
- InChIKey
- AYXYPKUFHZROOJ-ZETCQYMHSA-N
- PubChem CID
- 5486971
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (3S)-3-(aminomethyl)-5-methylhexanoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (3S)-3-(aminomethyl)-5-methylhexanoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.