(2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanoic acid; (1R)-1-phenylethanamine

Systemtic Name: (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanoic acid; (1R)-1-phenylethanamine Openeye Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid; (1R)-1-phenylethanamine CAS Name: (2S)-2-(2-oxo-1-pyrrolidinyl)butanoic acid; (1R)-1-phenylethanamine IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid; (1R)-1-phenylethanamine Traditional Name: (2S)-2-(2-ketopyrrolidino)butyric acid; [(1R)-1-phenylethyl]amine Formula: C16H24N2O3 MolecularWeight: 292.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCCC1=O.CC(C1=CC=CC=C1)N

Isomeric SMILES

CC[C@@H](C(=O)O)N1CCCC1=O.C[C@H](C1=CC=CC=C1)N

InChI

InChI=1S/C8H13NO3.C8H11N/c1-2-6(8(11)12)9-5-3-4-7(9)10;1-7(9)8-5-3-2-4-6-8/h6H,2-5H2,1H3,(H,11,12);2-7H,9H2,1H3/t6-;7-/m01/s1