23669634 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 19 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 -1 1 2 3 4 4 5 6 6 6 7 7 7 7 8 8 9 9 9 2 10 10 11 19 11 8 17 18 8 9 12 13 10 14 11 15 16 7 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 8 6 7 10 14 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 6.3301 5.4641 4.5981 2 3.732 2.866 3.732 3.732 2.866 4.5981 2.866 3.9441 4.3426 3.732 2.654 2.2554 2.3291 2.866 2 1.56 1.06 2.56 -1.94 -1.94 1.56 0.06 1.06 -0.44 1.56 -1.44 -0.5226 0.1677 1.68 0.1426 -0.5477 1.25 2.18 -2.56 6 8 6 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 149 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623800004000000000000000000000000000000000000000000000000000000000001E00100800000828C18004000800400200080000900800000000000000000081800000020012008000004000041000000000AC26000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;(2S)-2-amino-5-hydroxy-5-oxo-pentanoate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;(2S)-2-amino-5-hydroxy-5-oxopentanoate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;(2<I>S</I>)-2-amino-5-hydroxy-5-oxopentanoate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;(2S)-2-amino-5-hydroxy-5-oxopentanoate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;(2S)-2-amino-5-hydroxy-5-keto-valerate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1/t3-;/m0./s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HQEROMHPIOLGCB-DFWYDOINSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.00903922 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H8KNO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CC(=O)O)C(C(=O)[O-])N.[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CC(=O)O)[C@@H](C(=O)[O-])N.[K+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 103 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.00903922 11 1 1 0 0 0 0 0 2 -1