(2S,3R)-2-azanyl-3-methyl-1-pyrrolidin-1-yl-pentan-1-one; (E)-but-2-enedioic acid

Systemtic Name: (2S,3R)-2-azanyl-3-methyl-1-pyrrolidin-1-yl-pentan-1-one; (E)-but-2-enedioic acid Openeye Name: (2S,3R)-2-amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one; fumaric acid CAS Name: (2S,3R)-2-amino-3-methyl-1-(1-pyrrolidinyl)-1-pentanone; (E)-2-butenedioic acid IUPAC Name: (2S,3R)-2-amino-3-methyl-1-pyrrolidin-1-ylpentan-1-one; (E)-but-2-enedioic acid Traditional Name: (2S,3R)-2-amino-3-methyl-1-pyrrolidino-pentan-1-one; fumaric acid Formula: C14H24N2O5 MolecularWeight: 300.35076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N1CCCC1)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H20N2O.C4H4O4/c1-3-8(2)9(11)10(13)12-6-4-5-7-12;5-3(6)1-2-4(7)8/h8-9H,3-7,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t8-,9+;/m1./s1