3-azanyl-3-(4-methyl-3-oxidanylidene-1,2-oxazol-5-yl)propanoic acid hydrate

Systemtic Name: 3-azanyl-3-(4-methyl-3-oxidanylidene-1,2-oxazol-5-yl)propanoic acid hydrate Openeye Name: 3-amino-3-(4-methyl-3-oxo-isoxazol-5-yl)propanoic acid hydrate CAS Name: 3-amino-3-(4-methyl-3-oxo-5-isoxazolyl)propanoic acid hydrate IUPAC Name: 3-amino-3-(4-methyl-3-oxo-1,2-oxazol-5-yl)propanoic acid hydrate Traditional Name: 3-amino-3-(3-keto-4-methyl-4-isoxazolin-5-yl)propionic acid hydrate Formula: C7H12N2O5 MolecularWeight: 204.18058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ONC1=O)C(CC(=O)O)N.O

Isomeric SMILES

CC1=C(ONC1=O)C(CC(=O)O)N.O

InChI

InChI=1S/C7H10N2O4.H2O/c1-3-6(13-9-7(3)12)4(8)2-5(10)11;/h4H,2,8H2,1H3,(H,9,12)(H,10,11);1H2