1216 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 15 8 8 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 5 6 7 7 7 8 8 8 8 9 9 9 10 10 11 11 2 3 4 10 23 22 12 24 12 11 20 21 9 10 13 14 11 15 16 17 18 12 19 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 7 9 12 19 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 3.403 2.5369 2.903 3.903 8.5991 7.7331 6.8671 5.135 6.001 4.269 6.8671 7.7331 4.7365 5.5335 6.3996 5.6025 4.6675 3.8705 6.3301 7.404 6.3301 3.213 2 9.136 -0.095 -0.595 0.771 -0.961 -0.095 1.405 -1.095 -0.095 0.405 0.405 -0.095 0.405 -0.5699 -0.5699 0.8799 0.8799 0.8799 0.8799 -0.405 -1.405 -1.405 1.308 -0.285 0.215 3 11 7 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 200 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0623802000000000000000000000000000000000000000000000000000000000000001E08100820000828C980040008004002100840009008800000000000000000818000000200120080000040000410000000008800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-amino-5-phosphono-pentanoic acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-amino-5-phosphonopentanoic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-amino-5-phosphonopentanoic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-azanyl-5-phosphono-pentanoic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2-amino-5-phosphono-valeric acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 VOROEQBFPPIACJ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -5.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 197.045309 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C5H12NO5P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 197.126242 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(CC(C(=O)O)N)CP(=O)(O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(CC(C(=O)O)N)CP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 121 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 197.045309 12 1 0 1 0 0 0 0 1 1