3WU
Summary
| Name: | (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid |
| Formula: | C9 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 187.236 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C(OC)C1NCCC1)C |
| InChI | InChI | 1.03 | InChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | ZGUZUQVQUIZGGC-GJMOJQLCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]([C@@H](C)C(O)=O)[C@@H]1CCCN1 |
| SMILES | CACTVS | 3.385 | CO[CH]([CH](C)C(O)=O)[CH]1CCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H]([C@H]([C@@H]1CCCN1)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(C1CCCN1)OC)C(=O)O |
