GM8
Summary
| Name: | (2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid |
| Formula: | C10 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 185.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[(1S,2S)-2-azanylcyclohexyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(CC)C1CCCCC1N |
| InChI | InChI | 1.03 | InChI=1S/C10H19NO2/c1-2-7(10(12)13)8-5-3-4-6-9(8)11/h7-9H,2-6,11H2,1H3,(H,12,13)/t7-,8-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | CYTBXYAGIBMIHA-CIUDSAMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(O)=O |
| SMILES | CACTVS | 3.370 | CC[CH]([CH]1CCCC[CH]1N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(C1CCCCC1N)C(=O)O |
