6049 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 8 8 8 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 7 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 33 18 34 19 35 20 36 17 18 19 20 11 13 14 12 15 16 12 21 22 23 24 17 25 26 18 27 28 19 29 30 20 31 32 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 24 25 26 27 28 29 30 31 32 33 34 35 36 2 2.866 8.0622 7.1962 3.732 2 6.3301 8.0622 3.732 6.3301 4.5981 5.4641 2.866 3.732 7.1962 6.3301 2.866 2.866 7.1962 7.1962 4.9966 4.1996 5.0656 5.8626 2.2554 2.654 3.9441 4.3426 7.8067 7.4082 6.1181 5.7196 2 2.3291 8.0622 7.7331 1.75 -2.75 -1.75 2.75 1.75 -1.25 -1.75 1.25 -0.25 0.25 0.25 -0.25 0.25 -1.25 -0.25 1.25 1.25 -1.75 -1.25 1.75 0.7249 0.7249 -0.7249 -0.7249 0.3577 -0.3326 -1.8326 -1.1423 -0.3577 0.3326 1.8326 1.1423 2.37 -3.06 -2.37 3.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 316 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733C00000000000000000000000000000000000000000000000000000000000000001E00000800000000C180040008030002000800009008000000000000000000008800000240000000201000000000009000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KCXVZYZYPLLWCC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -5.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.09066547 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H16N2O8 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 156 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 292.09066547 20 0 0 0 0 0 0 0 1 1