3-(aziridin-1-yl)butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 3-(aziridin-1-yl)butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 3-(aziridin-1-yl)butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 3-(1-aziridinyl)butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 3-(aziridin-1-yl)butanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 3-ethyleniminobutyric acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C24H47N3O9 MolecularWeight: 521.64468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(CC(=O)O)N1CC1.CC(CC(=O)O)N1CC1.CC(CC(=O)O)N1CC1

Isomeric SMILES

CCC(CO)(CO)CO.CC(CC(=O)O)N1CC1.CC(CC(=O)O)N1CC1.CC(CC(=O)O)N1CC1

InChI

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