70215786 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 31 8 8 8 7 6 6 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 2 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 12 13 13 14 31 14 9 10 13 6 7 8 15 9 16 17 10 18 19 11 12 20 21 22 23 24 25 26 27 28 29 30 14 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 1 1 1 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 31 4.5981 2.866 2 3.732 3.732 2.866 4.5981 3.732 2.866 4.5981 4.5981 2.866 3.732 2.866 4.269 2.654 2.2554 5.2087 4.8101 3.732 2.2554 2.654 4.8101 5.2087 4.9081 5.135 4.2881 3.176 2.3291 2.556 2.3291 -1.845 -2.845 -1.345 -0.345 1.655 1.155 1.155 2.655 0.155 0.155 3.155 3.155 -1.345 -1.845 1.965 1.7376 1.0473 1.0473 1.7376 3.275 0.2627 -0.4276 -0.4276 0.2627 2.6181 3.465 3.6919 3.6919 3.465 2.6181 -3.155 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 230 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07230000000000000000000000000000000000000002C0000000000000000000000001E00000800000D00C18004020803000200080001901802000000000000000000C800000200020080200400000006009000001000000E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-isopropyl-1-piperidyl)-2-oxo-acetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-2-(4-propan-2-yl-1-piperidinyl)acetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-2-(4-propan-2-ylpiperidin-1-yl)acetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxo-2-(4-propan-2-ylpiperidin-1-yl)acetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxidanylidene-2-(4-propan-2-ylpiperidin-1-yl)ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-isopropylpiperidino)-2-keto-acetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H17NO3/c1-7(2)8-3-5-11(6-4-8)9(12)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IZBWTFGOZHZIMW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.12084340 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H17NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C1CCN(CC1)C(=O)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C1CCN(CC1)C(=O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 199.12084340 14 0 0 0 0 0 0 0 1 -1