SZ8
Summary
| Name: | methyl (4R)-4-amino-1-methyl-L-prolinate |
| Formula: | C7 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 158.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (4R)-4-amino-1-methyl-L-prolinate |
| OpenEye OEToolkits | 1.7.2 | methyl (2S,4R)-4-azanyl-1-methyl-pyrrolidine-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C1N(C)CC(N)C1 |
| InChI | InChI | 1.03 | InChI=1S/C7H14N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h5-6H,3-4,8H2,1-2H3/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | WWDRZXVUQYMTLY-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)[C@@H]1C[C@@H](N)CN1C |
| SMILES | CACTVS | 3.370 | COC(=O)[CH]1C[CH](N)CN1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CN1C[C@@H](C[C@H]1C(=O)OC)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CN1CC(CC1C(=O)OC)N |
