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 |