U1I
Summary
| Name: | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl (3~{R})-3-(4-methylphenyl)pyrrolidine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC(=O)C1(CCNC1)c1ccc(C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO2/c1-10-3-5-11(6-4-10)13(12(15)16-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | DZYXVONDWNODKG-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@]1(CCNC1)c2ccc(C)cc2 |
| SMILES | CACTVS | 3.385 | COC(=O)[C]1(CCNC1)c2ccc(C)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)[C@@]2(CCNC2)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C2(CCNC2)C(=O)OC |
