2CG
Summary
| Name: | (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid |
| Synonyms: | (2S,2'R,3'R)-2-(2',3'-dicarboxycyclopropyl)glycine DCG IV |
| Formula: | C7 H9 N O6 |
| Formal charge: | 0 |
| Formula weight: | 203.149 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (1R,2R)-3-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]cyclopropane-1,2-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1C(C(=O)O)C1C(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]([C@@H]1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH]([CH]1[CH]([CH]1C(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1 |
| InChIKey | InChI | 1.03 | MATPZHBYOVDBLI-JJYYJPOSSA-N |
