107699 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 32 33 34 15 8 8 8 8 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 1 1 1 1 1 1 2 2 3 3 4 6 6 6 7 7 7 8 9 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 14 4 5 7 8 8 11 8 12 22 10 27 28 9 15 16 17 10 18 19 20 21 13 23 24 14 25 26 29 30 31 32 33 34 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 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 32 33 34 6.001 7.7331 6.8671 5.501 6.501 2.5369 5.135 6.8671 4.269 3.403 8.5991 7.7331 9.4651 7.7331 4.7365 5.5335 6.3301 4.6675 3.8705 3.0044 3.8015 4.881 8.9976 8.2006 7.9451 8.3437 2 2.5369 9.1551 10.0021 9.7751 8.3531 7.7331 7.1131 -1.067 -1.067 0.433 -0.201 -1.933 -1.067 -1.567 -0.567 -1.067 -1.567 -0.567 0.933 -1.067 1.933 -2.0419 -2.0419 -0.257 -0.592 -0.592 -2.0419 -2.0419 -0.201 -0.092 -0.092 0.3504 1.0407 -1.377 -0.447 -1.6039 -1.377 -0.5301 1.933 2.553 1.933 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 182 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0723802000000000000000000000000000000000000000000000000000000000000001E08100820000800E980070208004004300040000000800000000000000000800000001000000000002000000010000400000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-aminopropyl(diethoxymethyl)phosphinic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-aminopropyl(diethoxymethyl)phosphinic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-aminopropyl(diethoxymethyl)phosphinic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-aminopropyl(diethoxymethyl)phosphinic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-azanylpropyl(diethoxymethyl)phosphinic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-aminopropyl(diethoxymethyl)phosphinic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QIIVUOWTHWIXFO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 225.11299512 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H20NO4P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 225.22 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(OCC)P(=O)(CCCN)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(OCC)P(=O)(CCCN)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 81.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 225.11299512 14 0 0 0 0 0 0 0 1 -1