V29
Summary
| Name: | (3R)-3-(benzylamino)oxolane-3-carboxylic acid |
| Formula: | C12 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 221.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-(benzylamino)oxolane-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-[(phenylmethyl)amino]oxolane-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1(NCc2ccccc2)CCOC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H15NO3/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | UZLSSCFGNVYENJ-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@]1(CCOC1)NCc2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[C]1(CCOC1)NCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN[C@@]2(CCOC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC2(CCOC2)C(=O)O |
