1310 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 8 8 8 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 22 12 23 11 12 6 20 21 7 9 11 8 13 14 10 12 15 10 16 17 18 19 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 5 7 9 11 3 1 8 7 10 12 15 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 5.6646 3.4013 4.2634 2 3.4945 4.0823 3.2733 3.5823 4.8913 4.5823 4.6701 2.9945 2.9633 2.7069 3.9682 5.4577 5.2013 4.5175 5.1888 2.8779 3.7467 6.029 3.0368 1.7247 -2.2412 2.7428 -1.2231 1.8292 1.0202 0.4324 -0.5186 0.4324 -0.5186 1.8292 -1.3276 0.9694 0.1803 -1.276 0.1803 0.9694 -1.1352 -0.6475 1.7644 2.3956 2.2263 -2.7428 3 3 6 8 11 15 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 227 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623800000000000000000000000000000180000000000000000000000000000000001E00100800000D88818000000800400200080000900800000000000000000001800000020012008000004000041000000001BC7F111E00000000000000000000000000000001200000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-aminocyclopentane-1,3-dicarboxylic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-aminocyclopentane-1,3-dicarboxylic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-aminocyclopentane-1,3-dicarboxylic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-azanylcyclopentane-1,3-dicarboxylic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-aminocyclopentane-1,3-dicarboxylic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YFYNOWXBIBKGHB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 173.068808 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H11NO4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 173.16654 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC(CC1C(=O)O)(C(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC(CC1C(=O)O)(C(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 101 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 173.068808 12 2 0 2 0 0 0 0 1 1