2-oxidanylpropane-1,2,3-tricarboxylate; 1-(1-pyrrolidin-1-ylethyl)urea

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-(1-pyrrolidin-1-ylethyl)urea Openeye Name: 1-pyrrolidin-1-ylethylurea citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(1-pyrrolidinyl)ethylurea IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-pyrrolidin-1-ylethylurea Traditional Name: 1-pyrrolidinoethylurea citrate Formula: C13H20N3O8-3 MolecularWeight: 346.3132

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)N)N1CCCC1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(NC(=O)N)N1CCCC1.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C7H15N3O.C6H8O7/c1-6(9-7(8)11)10-4-2-3-5-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h6H,2-5H2,1H3,(H3,8,9,11);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3