20056670 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 35 36 37 38 39 8 8 8 8 8 8 7 7 6 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 1 1 1 1 2 3 3 4 5 5 6 7 7 7 8 8 8 9 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 17 37 17 18 38 18 19 39 19 11 12 29 15 35 36 10 11 20 21 13 22 23 24 25 14 17 26 15 27 28 16 30 31 18 32 19 33 34 1 1 2 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 1 1 1 1 1 1 12 7 14 17 26 1 1 15 8 13 18 32 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 31 32 33 34 35 36 37 38 39 11.1972 10.3312 2.5369 3.403 11.1972 9.4651 8.5991 4.269 6.8671 6.001 7.7331 9.4651 5.135 9.4651 4.269 10.3312 10.3312 3.403 10.3312 7.2656 6.4685 5.6025 6.3996 7.3346 8.1316 9.4651 5.5335 4.7365 8.5991 8.8546 9.2531 4.8059 10.9417 10.5432 3.732 4.8059 11.7341 2 11.1972 1.06 2.56 1.06 2.56 -1.94 -1.94 1.56 0.06 1.56 1.06 1.06 1.06 1.56 0.06 1.06 -0.44 1.56 1.56 -1.44 2.0349 2.0349 0.5851 0.5851 0.5851 0.5851 1.68 2.0349 2.0349 2.18 0.1677 -0.5226 0.75 -0.5477 0.1426 -0.25 -0.25 1.37 1.37 -2.56 6 3 12 15 7 8 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 320 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0733800000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004000802C00200080000900800000000000000000081880000020012008020044000041000900001BC6E000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-[(5-amino-5-carboxy-pentyl)amino]pentanedioic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-[(5-amino-5-carboxypentyl)amino]pentanedioic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>S</I>)-2-[(5-amino-5-carboxypentyl)amino]pentanedioic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-[(5-amino-5-carboxypentyl)amino]pentanedioic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)amino]pentanedioic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2S)-2-[(5-amino-5-carboxy-pentyl)amino]glutaric acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7?,8-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZDGJAHTZVHVLOT-MQWKRIRWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -5.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.13213636 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H20N2O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CCN[C@@H](CCC(=O)O)C(=O)O)CC(C(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 150 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 276.13213636 19 2 1 1 0 0 0 0 1 -1