HWF
Summary
| Name: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
| Synonyms: | LY3353871 |
| 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 | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-phenyl-2-[(3~{R})-pyrrolidin-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(Cc1ccccc1)C1CCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.06 | OSTNIMGVYREMID-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H](Cc1ccccc1)[C@H]2CCNC2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1ccccc1)[CH]2CCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H]([C@H]2CCNC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(C2CCNC2)C(=O)O |
