TPK
Summary
| Name: | (1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol |
| OpenEye OEToolkits | 1.7.6 | (1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(CO)C1CCCN1 |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO2/c8-4-6(9)5-2-1-3-7-5/h5-9H,1-4H2/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | ABWTVUOTCCJBBM-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H](O)[C@@H]1CCCN1 |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH]1CCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C[C@H](NC1)[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(NC1)C(CO)O |
