57506890 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 19 8 8 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 18 12 19 11 12 20 21 22 23 9 16 17 10 11 13 12 14 15 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 9 8 10 11 13 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 0 7.3671 3.0369 6.501 3.903 5.202 5.202 5.635 5.635 4.769 6.501 3.903 6.172 5.1675 4.3705 5.0981 6.172 7.904 2.5 5.7389 4.6651 5.7389 4.6651 3.655 1.31 1.81 2.81 0.31 4.81 7.31 0.31 1.31 1.81 1.81 1.31 1 2.2849 2.2849 0 0 1.62 1.5 5.12 5.12 7.62 7.62 5 9 8 1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623800004000000000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;(2S)-2-aminobutanedioic acid;dihydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;(2S)-2-aminobutanedioic acid;dihydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;(2<I>S</I>)-2-aminobutanedioic acid;dihydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;(2S)-2-aminobutanedioic acid;dihydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;(2S)-2-azanylbutanedioic acid;dihydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;(2S)-2-aminosuccinic acid;dihydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO4.K.2H2O/c5-2(4(8)9)1-3(6)7;;;/h2H,1,5H2,(H,6,7)(H,8,9);;2*1H2/q;+1;;/t2-;;;/m0.../s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ARZPTLCWDBMSJH-SQGDDOFFSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.02234356 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H11KNO6+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)O)N)C(=O)O.O.O.[K+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C([C@@H](C(=O)O)N)C(=O)O.O.O.[K+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 103 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.02234356 12 1 1 0 0 0 0 0 4 -1