40F
Summary
| Name: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid |
| Formula: | C8 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 185.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (1S,2S,5R,6S)-2-azanylbicyclo[3.1.0]hexane-2,6-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1C2CCC(C(=O)O)(N)C12 |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | VTAARTQTOOYTES-RGDLXGNYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(CC[CH]2[CH]([CH]12)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CC(C2C1C2C(=O)O)(C(=O)O)N |
