44145836 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 19 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 2 -1 4 -1 2 3 4 5 6 6 6 7 7 7 8 8 8 9 9 10 10 7 14 15 8 9 11 10 12 13 1 2 1 2 1 1 1 1 1 1 1 1 1 7 6 8 9 11 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6.3301 5.4641 4.5981 2.866 2 2.866 3.732 3.732 4.5981 2.866 3.732 3.9441 4.3426 2.3291 2.866 1 0.5 2 -2 -0.5 1 0.5 -0.5 1 -1 1.12 -1.0826 -0.3923 0.69 1.62 3 7 6 -1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 122 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180623800004000000000000000000000000000000000000000000000000000000000001E00100000000828C180040008004000000800009008000000000000000000818000000200180000000000000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-aminobutanedioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-aminobutanedioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-aminobutanedioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-aminobutanedioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-azanylbutanedioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-aminosuccinate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 TXXVQZSTAVIHFD-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.98556413 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H5KNO4- Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 170.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])N)C(=O)[O-].[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])N)C(=O)[O-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 106 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 169.98556413 10 1 0 1 0 0 0 0 2 -1