JEG
Summary
| Name: | trans-1-aminocyclobutane-1,3-dicarboxylic acid |
| Formula: | C6 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 159.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trans-1-aminocyclobutane-1,3-dicarboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 1-azanylcyclobutane-1,3-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CC(C(=O)O)(N)C1 |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6- |
| InChIKey | InChI | 1.03 | GGMYWPBNZXRMME-HSRNZHMGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@]1(C[C@H](C1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[C]1(C[CH](C1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1C(CC1(C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C(CC1(C(=O)O)N)C(=O)O |
