VLS
Summary
| Name: | N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine |
| Formula: | C6 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 179.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine |
| OpenEye OEToolkits | 2.0.7 | 2-[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CNC(CO)(CO)CO)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | SEQKRHFRPICQDD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(CO)(CO)NCC(O)=O |
| SMILES | CACTVS | 3.385 | OCC(CO)(CO)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C(=O)O)NC(CO)(CO)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(=O)O)NC(CO)(CO)CO |
