2-acetamido-3-methyl-pentanoic acid; 3-azanylpentanenitrile

Systemtic Name: 2-acetamido-3-methyl-pentanoic acid; 3-azanylpentanenitrile Openeye Name: 2-acetamido-3-methyl-pentanoic acid; 3-aminopentanenitrile CAS Name: 2-acetamido-3-methylpentanoic acid; 3-aminopentanenitrile IUPAC Name: 2-acetamido-3-methylpentanoic acid; 3-aminopentanenitrile Traditional Name: 2-acetamido-3-methyl-valeric acid; 3-aminovaleronitrile Formula: C13H25N3O3 MolecularWeight: 271.3559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C.CCC(CC#N)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C.CCC(CC#N)N

InChI

InChI=1S/C8H15NO3.C5H10N2/c1-4-5(2)7(8(11)12)9-6(3)10;1-2-5(7)3-4-6/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12);5H,2-3,7H2,1H3