2.0 2012-07-30 14:55:06 -0600 2015-06-03 17:21:00 -0600 ECMDB21251 M2MDB001659 N-Acetylanthranilate N-acetylanthranilate is a member of the chemical class known as Benzoic Acid and Derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. 2-(Acetylamino)-benzoate 2-(Acetylamino)-benzoic acid 2-(Acetylamino)benzoate 2-(Acetylamino)benzoic acid 2-Acetamidobenzoate 2-Acetamidobenzoic acid 2-Carboxyacetanilide Acetylanthranilate Acetylanthranilic acid N-(Acetylamino)benzoate N-(Acetylamino)benzoic acid N-Acetyl-Anthranilate N-Acetyl-Anthranilic acid N-Acetylanthranilate N-Acetylanthranilic acid O-Acetamidobenzoate O-Acetamidobenzoic acid O-Acetoaminobenozate O-Acetoaminobenozic acid O-Acetoaminobenzoate O-Acetoaminobenzoic acid O-Acetylaminobenzoate O-Acetylaminobenzoic acid C9H9NO3 179.1727 179.058243159 2-acetamidobenzoic acid N-acetylanthranilic acid 89-52-1 CC(=O)NC1=CC=CC=C1C(O)=O InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) QSACCXVHEVWNMX-UHFFFAOYSA-N Solid Cytosol logp 1.00 ALOGPS logs -2.09 ALOGPS solubility 1.47e+00 g/l ALOGPS melting_point 184-187 oC logp 1.52 ChemAxon pka_strongest_acidic 3.56 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 2-acetamidobenzoic acid ChemAxon average_mass 179.1727 ChemAxon mono_mass 179.058243159 ChemAxon smiles CC(=O)NC1=CC=CC=C1C(O)=O ChemAxon formula C9H9NO3 ChemAxon inchi InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) ChemAxon inchikey QSACCXVHEVWNMX-UHFFFAOYSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 48.18 ChemAxon polarizability 17.48 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1086961 Specdb::EiMs 2237 Specdb::NmrOneD 336638 Specdb::NmrOneD 336639 Specdb::NmrOneD 336640 Specdb::NmrOneD 336641 Specdb::NmrOneD 336642 Specdb::NmrOneD 336643 Specdb::NmrOneD 336644 Specdb::NmrOneD 336645 Specdb::NmrOneD 336646 Specdb::NmrOneD 336647 Specdb::NmrOneD 336648 Specdb::NmrOneD 336649 Specdb::NmrOneD 336650 Specdb::NmrOneD 336651 Specdb::NmrOneD 336652 Specdb::NmrOneD 336653 Specdb::NmrOneD 336654 Specdb::NmrOneD 336655 Specdb::NmrOneD 336656 Specdb::NmrOneD 336657 Specdb::MsMs 28349 Specdb::MsMs 28350 Specdb::MsMs 28351 Specdb::MsMs 34907 Specdb::MsMs 34908 Specdb::MsMs 34909 6971 6705 C06332 16803 N-ACETYLANTHRANILATE ZZ8 N-hydroxyarylamine O-acetyltransferase P77567 NHOA_ECOLI nhoA http://ecmdb.ca/proteins/P77567.xml Acetyl-CoA + 2-Aminobenzoic acid > N-Acetylanthranilate + Coenzyme A