9794116 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 11 11 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 1 3 -1 5 -1 3 4 5 6 7 7 7 8 8 8 8 9 9 10 10 10 11 11 12 12 9 18 19 9 10 13 14 11 15 12 16 17 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 9 7 8 11 15 3 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 2 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 1.75 -2.75 1.25 2.75 -1.75 -1.75 1.75 0.25 1.25 -0.25 1.75 -1.25 -0.3326 0.3577 1.87 0.3326 -0.3577 1.44 2.37 3 9 7 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 134 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180623830000000000000000000000000000000000000000000000000000000000000001E00100000000828C18004000800400000080000900800000000000000000081800000020012008000000000041000000000AC26000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;2-aminopentanedioate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;2-aminopentanedioate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;2-aminopentanedioate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;2-aminopentanedioate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;2-azanylpentanedioate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 disodium;2-aminoglutarate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H9NO4.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;/q;2*+1/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PXEDJBXQKAGXNJ-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.01704627 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H7NNa2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.09 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CC(=O)[O-])C(C(=O)[O-])N.[Na+].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CC(=O)[O-])C(C(=O)[O-])N.[Na+].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.01704627 12 1 0 1 0 0 0 0 3 -1