6322 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 8 8 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 11 22 11 9 20 21 10 12 12 23 24 12 25 26 8 9 13 14 10 15 16 11 17 18 19 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 3 7 11 17 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 21 22 23 24 25 26 6.8671 6.001 4.269 3.403 2.5369 4.269 5.135 4.269 5.135 4.269 6.001 3.403 5.3471 5.7456 4.0569 3.6584 5.135 4.481 4.8796 3.732 4.269 7.404 2.5369 2 4.269 4.8059 1.81 3.31 2.31 -1.19 -2.69 -2.69 0.81 0.31 1.81 -0.69 2.31 -2.19 0.2274 0.9177 0.8926 0.2023 2.43 -1.2726 -0.5823 2 2.93 2.12 -3.31 -2.38 -3.31 -2.38 6 9 3 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 176 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 4 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C063B000000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004010802400200280000902C000000010000000000818000000200120080000040000410000000009811000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-5-guanidino-pentanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-amino-5-guanidino-valeric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 ODKSFYDXXFIFQN-BYPYZUCNSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -4.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 174.111676 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H14N4O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 174.20096 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(C(=O)O)N)CN=C(N)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C[C@@H](C(=O)O)N)CN=C(N)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 128 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 174.111676 12 1 1 0 0 0 0 0 1 2