1.0 2026-09-22 13:18:10 UTC 2026-09-22 13:18:10 UTC FDB118301 Ixazomib [(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methyl-butyl]boronic acid [(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid C14H19BCl2N2O4 361.03 360.081492 2-{[(2,5-dichlorophenyl)(hydroxy)methylidene]amino}-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]ethanimidic acid 2-{[(2,5-dichlorophenyl)(hydroxy)methylidene]amino}-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]ethanimidic acid [H][C@@](CC(C)C)(N=C(O)CN=C(O)C1=C(Cl)C=CC(Cl)=C1)B(O)O InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1 MXAYKZJJDUDWDS-LBPRGKRZSA-N belongs to the class of organic compounds known as hippuric acids and derivatives. Hippuric acids and derivatives are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. Hippuric acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Alpha amino acid amides Aryl chlorides Benzoyl derivatives Boronic acids Carbonyl compounds Dichlorobenzenes Hydrocarbon derivatives Monoalkylboranes N-acyl-alpha amino acids and derivatives Organic metalloid salts Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Vinylogous halides 1,4-dichlorobenzene 2-halobenzoic acid or derivatives 3-halobenzoic acid or derivatives Alkylborane Alpha-amino acid amide Alpha-amino acid or derivatives Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzoyl Boronic acid Boronic acid derivative Carbonyl group Carboxamide group Carboxylic acid derivative Chlorobenzene Halobenzene Halobenzoic acid or derivatives Hippuric acid or derivatives Hydrocarbon derivative Monoalkylborane N-acyl-alpha amino acid or derivatives N-substituted-alpha-amino acid Organic metalloid salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organoboron compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Vinylogous halide logp 2.82 ALOGPS logs -4.30 ALOGPS solubility 1.79e-02 g/l ALOGPS logp 4.27 ChemAxon pka_strongest_acidic 3.47 ChemAxon pka_strongest_basic 1.63 ChemAxon iupac 2-{[(2,5-dichlorophenyl)(hydroxy)methylidene]amino}-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]ethanimidic acid ChemAxon average_mass 361.03 ChemAxon mono_mass 360.081492 ChemAxon smiles [H][C@@](CC(C)C)(N=C(O)CN=C(O)C1=C(Cl)C=CC(Cl)=C1)B(O)O ChemAxon formula C14H19BCl2N2O4 ChemAxon inchi InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1 ChemAxon inchikey MXAYKZJJDUDWDS-LBPRGKRZSA-N ChemAxon polar_surface_area 105.64 ChemAxon refractivity 85.6 ChemAxon polarizability 36.45 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 7704 Specdb::MsMs 255432 Specdb::MsMs 255433 Specdb::MsMs 255434 Specdb::MsMs 275373 Specdb::MsMs 275374 Specdb::MsMs 275375