611 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 6 7 7 8 8 8 9 18 10 19 9 10 7 16 17 7 8 11 12 9 13 10 14 15 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 7 5 6 9 13 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 5.4641 2 4.5981 3.732 2.866 3.732 3.732 2.866 4.5981 2.866 3.9441 4.3426 3.732 2.654 2.2554 2.3291 2.866 6.001 2 1.06 -1.94 2.56 -1.94 1.56 0.06 1.06 -0.44 1.56 -1.44 -0.5226 0.1677 1.91 0.1426 -0.5477 1.25 2.18 1.37 -2.56 3 7 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 145 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623800000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004000800400200080000900800000000000000000081800000020012008000004000041000000000AC26000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminopentanedioic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminopentanedioic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminopentanedioic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanylpentanedioic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminoglutaric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WHUUTDBJXJRKMK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.053158 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H9NO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 147.12926 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(C(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(C(=O)O)N 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 2011.09.13 147.053158 10 1 0 1 0 0 0 0 1 1