137 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 5 6 6 6 7 8 8 7 9 18 9 8 16 17 6 7 10 11 9 12 13 8 14 15 2 1 1 2 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 4.269 7.7331 6.8671 2.5369 5.135 6.001 4.269 3.403 6.8671 5.5335 4.7365 5.6025 6.3996 3.8015 3.0044 2 2.5369 8.27 -1.25 -0.25 1.25 -0.25 0.25 -0.25 -0.25 0.25 0.25 0.7249 0.7249 -0.7249 -0.7249 0.7249 0.7249 0.06 -0.87 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 121 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623000000000000000000000000000000000000000000000000000000000000000001E00100800000804C180040008004002000800809008000000000000000000818000000000120080000040000400000000009B11000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5-amino-4-oxo-pentanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5-amino-4-oxopentanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5-amino-4-oxopentanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5-azanyl-4-oxidanylidene-pentanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5-amino-4-keto-valeric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZGXJTSGNIOSYLO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.058243 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H9NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.12986 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(=O)CN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(=O)CN Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 80.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 131.058243 9 0 0 0 0 0 0 0 1 4