5961 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 6 7 7 8 8 8 9 20 9 10 7 16 17 10 18 19 7 8 11 12 9 13 10 14 15 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 4 6 9 13 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 6.001 5.135 4.269 3.403 2.5369 4.269 4.269 3.403 5.135 3.403 4.481 4.8796 4.269 3.1909 2.7924 2.866 3.403 2.5369 2 6.538 1.06 2.56 -1.94 1.56 -1.94 0.06 1.06 -0.44 1.56 -1.44 -0.5226 0.1677 1.68 0.1426 -0.5477 1.25 2.18 -2.56 -1.63 1.37 6 7 4 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 146 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 3 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 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800019018000000000000000000818000000200120080000040000410000000009C17000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diamino-5-oxo-pentanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diamino-5-oxopentanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diamino-5-oxopentanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diamino-5-keto-valeric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ZDXPYRJPNDTMRX-VKHMYHEASA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 146.069142 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H10N2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 146.1445 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)N)C(C(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)N)[C@@H](C(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 106 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 146.069142 10 1 1 0 0 0 0 0 1 3