59113615 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 92 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 8 8 8 2 9 16 10 17 9 10 7 14 15 8 10 11 9 12 13 6 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 7 6 8 10 11 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 2 2.866 7.1962 3.732 6.3301 5.4641 5.4641 4.5981 3.732 6.3301 6.001 4.9966 4.1996 4.9272 6.001 2.866 7.7331 -0.095 0.405 -0.095 -1.095 1.405 -1.095 -0.095 0.405 -0.095 0.405 -0.405 0.8799 0.8799 -1.405 -1.405 1.025 0.215 3 7 6 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 137 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180623800000000000000000000002000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 2-aminobutanedioic acid;uranium IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 2-aminobutanedioic acid;uranium IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 2-aminobutanedioic acid;uranium IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 2-azanylbutanedioic acid;uranium IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 2-aminosuccinic acid;uranium InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C4H7NO4.U/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9); InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 QXDYBRJKTICYHC-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 371.088296 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C4H7NO4U Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 371.13159 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(C(=O)O)N)C(=O)O.[U] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(C(=O)O)N)C(=O)O.[U] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 101 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 371.088296 10 1 0 1 0 0 0 0 2 2