AUU
Summary
| Name: | (1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid |
| Formula: | C8 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 155.194 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | (1~{S},2~{S})-2-azanylbicyclo[2.2.1]heptane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C1(C2CCC(C1)C2)N)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)/t5-,6+,8+/m1/s1 |
| InChIKey | InChI | 1.03 | MPUVBVXDFRDIPT-CHKWXVPMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@]1(C[C@@H]2CC[C@H]1C2)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(C[CH]2CC[CH]1C2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CC2C[C@H]1[C@@](C2)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC2CC1CC2(C(=O)O)N |
