2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(2-methylaziridin-1-yl)propanoic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(2-methylaziridin-1-yl)propanoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(2-methylaziridin-1-yl)propanoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(2-methyl-1-aziridinyl)propanoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 3-(2-methylaziridin-1-yl)propanoic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; 3-(2-methylethylenimin-1-yl)propionic acid Formula: C24H47N3O9 MolecularWeight: 521.64468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.CC1CN1CCC(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.CC1CN1CCC(=O)O

InChI

InChI=1S/3C6H11NO2.C6H14O3/c3*1-5-4-7(5)3-2-6(8)9;1-2-6(3-7,4-8)5-9/h3*5H,2-4H2,1H3,(H,8,9);7-9H,2-5H2,1H3