GBN
Summary
| Name: | [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID |
| Synonyms: | GABAPENTIN |
| Formula: | C9 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 171.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [1-(aminomethyl)cyclohexyl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[1-(aminomethyl)cyclohexyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC1(CN)CCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | NCC1(CCCCC1)CC(O)=O |
| SMILES | CACTVS | 3.341 | NCC1(CCCCC1)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)(CC(=O)O)CN |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)(CC(=O)O)CN |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
| InChIKey | InChI | 1.03 | UGJMXCAKCUNAIE-UHFFFAOYSA-N |
