2-azanylethanoic acid; (2S)-2-[(2-chloranyl-6-ethyl-phenyl)amino]propanoic acid

Systemtic Name: 2-azanylethanoic acid; (2S)-2-[(2-chloranyl-6-ethyl-phenyl)amino]propanoic acid Openeye Name: 2-aminoacetic acid; (2S)-2-(2-chloro-6-ethyl-anilino)propanoic acid CAS Name: 2-aminoacetic acid; (2S)-2-(2-chloro-6-ethylanilino)propanoic acid IUPAC Name: 2-aminoacetic acid; (2S)-2-(2-chloro-6-ethylanilino)propanoic acid Traditional Name: 2-aminoacetic acid; (2S)-2-(2-chloro-6-ethyl-anilino)propionic acid Formula: C13H19ClN2O4 MolecularWeight: 302.75396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)Cl)NC(C)C(=O)O.C(C(=O)O)N

Isomeric SMILES

CCC1=C(C(=CC=C1)Cl)N[C@@H](C)C(=O)O.C(C(=O)O)N

InChI

InChI=1S/C11H14ClNO2.C2H5NO2/c1-3-8-5-4-6-9(12)10(8)13-7(2)11(14)15;3-1-2(4)5/h4-7,13H,3H2,1-2H3,(H,14,15);1,3H2,(H,4,5)/t7-;/m0./s1