53725852 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 7 14 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 15 9 16 8 9 6 13 14 7 8 10 9 11 12 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 6 5 7 8 10 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 6.8671 2.5369 6.001 3.403 5.135 5.135 4.269 6.001 3.403 5.672 3.959 4.579 5.672 4.5981 7.404 2 0.345 -0.155 -1.155 -1.655 1.345 0.345 -0.155 -0.155 -0.655 0.655 0.3819 -0.6919 1.655 1.655 0.035 -0.465 6 6 5 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180623800000000000000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200180000000040000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-aminobutanedioic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-aminobutanedioic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-aminobutanedioic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-azanylbutanedioic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2R)-2-aminosuccinic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CKLJMWTZIZZHCS-TZDVBLAASA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.04075 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H7NO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.095222 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(=O)O)N)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 [14CH2]([C@@H](C(=O)O)N)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 101 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 135.04075 9 1 1 0 0 0 0 1 1 1