C5B
Summary
| Name: | (1S,3R)-1-AMINOCYCLOPENTANE-1,3-DICARBOXYLIC ACID |
| Synonyms: | 1S,3R-ACPD |
| Formula: | C7 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 173.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(N)CC(C(=O)O)CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[C]1(CC[CH](C1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@](C[C@@H]1C(=O)O)(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC(CC1C(=O)O)(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | YFYNOWXBIBKGHB-FBCQKBJTSA-N |
