52A
Summary
| Name: | (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid |
| Synonyms: | 2R,4R-APDC |
| Formula: | C6 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4R)-4-aminopyrrolidine-2,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(N)CC(C(=O)O)NC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@]1(CN[C@H](C1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[C]1(CN[CH](C1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](NC[C@]1(C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(NCC1(C(=O)O)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10N2O4/c7-6(5(11)12)1-3(4(9)10)8-2-6/h3,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | XZFMJVJDSYRWDQ-AWFVSMACSA-N |
