839 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 7 7 8 8 9 9 9 18 10 19 11 20 10 11 8 16 17 8 9 12 13 10 14 11 15 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 8 6 7 10 14 3 1 9 1 7 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 20 6.001 2.5369 7.7331 3.403 6.8671 4.269 5.135 4.269 6.001 3.403 6.8671 5.5335 4.7365 5.0051 6.7372 3.732 4.8059 6.538 2 8.27 -1.095 -0.095 -0.095 1.405 1.405 -1.095 0.405 -0.095 -0.095 0.405 0.405 0.8799 0.8799 -0.52 -0.52 -1.405 -1.405 -1.405 0.215 0.215 3 3 8 9 14 15 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 168 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623800000000000000000000000000000000000000000000000000000000000000001E0010080000083CE18006000800400200080000900802000000000000000081C00000031012008000004000061000010000EE26000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-4-hydroxy-pentanedioic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-4-hydroxypentanedioic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-4-hydroxypentanedioic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanyl-4-oxidanyl-pentanedioic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-4-hydroxy-glutaric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HBDWQSHEVMSFGY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -4.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 163.048072 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H9NO5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 163.12866 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(=O)O)N)C(C(=O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(=O)O)N)C(C(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 121 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 163.048072 11 2 0 2 0 0 0 0 1 1