2-[4-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-keto-1-methyl-2-(propargylamino)ethyl]piperazino]acetic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)N1CCN(CC1)CC(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)N1CCN(CC1)CC(=O)O

InChI

InChI=1S/C12H19N3O3/c1-3-4-13-12(18)10(2)15-7-5-14(6-8-15)9-11(16)17/h1,10H,4-9H2,2H3,(H,13,18)(H,16,17)