265949 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 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 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 12 13 13 13 11 29 11 12 10 12 23 9 24 25 7 8 14 15 9 16 17 10 18 19 11 20 21 22 13 26 27 28 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 5 7 11 20 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 7.1962 6.3301 2 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 2.246 2.866 3.486 7.7331 2 3.5 -2 -2 2.5 0.5 1 -0.5 2 -1 2.5 -2.5 -3.5 1.0826 0.3923 0.4174 1.1077 -1.0826 -0.3923 2.62 -0.4174 -1.1077 -2.31 2.19 3.12 -3.5 -4.12 -3.5 2.31 3 9 5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 182 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733000000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004020802C002000800019018000000000000000000818800000200120080000440000416008000019848000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-acetamido-2-amino-hexanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-acetamido-2-aminohexanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-acetamido-2-aminohexanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-acetamido-2-aminohexanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-acetamido-2-azanyl-hexanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-acetamido-2-amino-hexanoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DTERQYGMUDWYAZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -2.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.11609238 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H16N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NCCCCC(C(=O)O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NCCCCC(C(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 92.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.11609238 13 1 0 1 0 0 0 0 1 -1