GBC
Summary
| Name: | GABACULINE |
| Formula: | C7 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 141.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-aminocyclohex-1-ene-1-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3-aminocyclohexene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1=CC(N)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]1CCCC(=C1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH]1CCCC(=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC(C=C(C1)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(C=C(C1)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3,8H2,(H,9,10)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | ZCGFCFMGAXXBTD-ZCFIWIBFSA-N |
