15691192 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 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 1 1 2 3 3 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 13 13 13 12 29 12 14 30 14 11 13 24 10 25 26 8 9 15 16 10 17 18 11 19 20 12 21 22 23 14 27 28 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10 6 8 12 21 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 21 22 23 24 25 26 27 28 29 30 7.1962 6.3301 2 3.732 3.732 4.5981 4.5981 5.4641 4.5981 5.4641 3.732 6.3301 2.866 2.866 4.386 3.9875 5.6762 6.0747 4.8101 5.2087 5.4641 3.52 3.1215 4.269 4.0611 4.5981 2.654 2.2554 7.7331 2 2.56 4.06 -3.44 -3.44 -1.44 3.06 1.06 1.56 0.06 2.56 -0.44 3.06 -1.94 -2.94 1.6426 0.9523 0.9774 1.6677 -0.5226 0.1677 3.18 0.1426 -0.5477 -1.75 2.75 3.68 -1.3574 -2.0477 2.87 -4.06 3 10 6 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 196 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733800000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004000802C002000800009008000000000000000000818800000200120080200440000410009000019848000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-6-(carboxymethylamino)hexanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-6-(carboxymethylamino)hexanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-6-(carboxymethylamino)hexanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-6-(carboxymethylamino)hexanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-amino-6-(carboxymethylamino)hexanoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NUXSIDPKKIEIMI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.11100700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H16N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CCNCC(=O)O)CC(C(=O)O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CCNCC(=O)O)CC(C(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 113 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 204.11100700 14 1 0 1 0 0 0 0 1 -1