6262 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 8 7 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 5 6 6 6 7 7 8 8 9 21 9 7 17 18 8 19 20 6 7 10 11 8 12 13 9 14 15 16 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 3 5 9 14 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 6.001 5.135 3.403 2.5369 4.269 3.403 4.269 3.403 5.135 4.481 4.8796 3.1909 2.7924 4.269 3.615 4.0135 2.866 3.403 2.5369 2 6.538 1.06 2.56 1.56 -1.94 0.06 -0.44 1.06 -1.44 1.56 -0.5226 0.1677 0.1426 -0.5477 1.68 -2.0226 -1.3323 1.25 2.18 -2.56 -1.63 1.37 6 7 3 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 95 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 00000371C0633000000000000000000000000000000000000000000000000000000000000000001E00100800000828C180040008004002000800009008000000000000000000818000000200120080000040000410000000009811000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diaminopentanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diaminopentanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diaminopentanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-bis(azanyl)pentanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2,5-diaminovaleric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 AHLPHDHHMVZTML-BYPYZUCNSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -4.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 132.089878 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H12N2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 132.16098 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(C(=O)O)N)CN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C[C@@H](C(=O)O)N)CN Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 89.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 132.089878 9 1 1 0 0 0 0 0 1 1