60145890 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 30 8 8 8 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 7 7 8 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 2 3 16 30 17 31 16 17 18 32 19 33 18 19 12 26 27 13 28 29 14 16 20 15 17 21 18 22 23 19 24 25 6 6 1 1 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 10 14 16 20 1 1 13 11 15 17 21 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 7.7331 6.8671 8.5991 6.001 9.4651 2.5369 12.9292 3.403 12.0632 5.135 10.3312 5.135 10.3312 4.269 11.1972 6.001 9.4651 3.403 12.0632 5.672 10.8681 4.6675 3.8705 11.5957 10.7987 4.5981 5.672 10.8681 9.7942 6.8671 8.5991 2 13.4662 0.405 -0.095 -0.095 1.405 1.405 0.405 0.405 -1.095 -1.095 -1.095 -1.095 -0.095 -0.095 0.405 0.405 0.405 0.405 -0.095 -0.095 -0.405 -0.405 0.8799 0.8799 0.8799 0.8799 -1.405 -1.405 -1.405 -1.405 -0.715 -0.715 0.095 0.095 5 6 12 13 10 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 303 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 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733C00000000020000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-aminobutanedioic acid;zinc IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-aminobutanedioic acid;zinc IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>S</I>)-2-aminobutanedioic acid;zinc IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-aminobutanedioic acid;zinc IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-azanylbutanedioic acid;zinc IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2S)-2-aminosuccinic acid;zinc InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/t2*2-;/m00./s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JDRWONLFZCDJKL-CEOVSRFSSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.004157 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H14N2O8Zn Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 331.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)O)N)C(=O)O.C(C(C(=O)O)N)C(=O)O.[Zn] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C([C@@H](C(=O)O)N)C(=O)O.C([C@@H](C(=O)O)N)C(=O)O.[Zn] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 201 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.004157 19 2 2 0 0 0 0 0 3 -1