SZR
Summary
| Name: | (2R)-4-cyano-2-hydroxybutanoic acid |
| Formula: | C5 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 129.114 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-4-cyano-2-hydroxybutanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-4-cyano-2-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)CCC#N |
| InChI | InChI | 1.06 | InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h4,7H,1-2H2,(H,8,9)/t4-/m1/s1 |
| InChIKey | InChI | 1.06 | UKXWUSDTTHLVST-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CCC#N)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CCC#N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C[C@H](C(=O)O)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(C(=O)O)O)C#N |
