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

Systemtic Name: 2-acetamido-3-methyl-butanoic acid; 3-azanylpentanenitrile Openeye Name: 2-acetamido-3-methyl-butanoic acid; 3-aminopentanenitrile CAS Name: 2-acetamido-3-methylbutanoic acid; 3-aminopentanenitrile IUPAC Name: 2-acetamido-3-methylbutanoic acid; 3-aminopentanenitrile Traditional Name: 2-acetamido-3-methyl-butyric acid; 3-aminovaleronitrile Formula: C12H23N3O3 MolecularWeight: 257.32932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO3.C5H10N2/c1-4(2)6(7(10)11)8-5(3)9;1-2-5(7)3-4-6/h4,6H,1-3H3,(H,8,9)(H,10,11);5H,2-3,7H2,1H3