14044 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 7 7 8 8 6 17 6 4 13 14 5 6 9 7 10 11 8 12 15 16 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 4 3 5 6 9 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 5.135 4.269 2.5369 3.403 3.403 4.269 2.5369 2.5369 3.403 3.615 4.0135 2 2 2.5369 2 3.0739 5.672 0.5 2 1 0.5 -0.5 1 -1 -2 1.35 -1.0826 -0.3923 -0.69 0.69 1.62 -2.31 -2.31 0.81 3 4 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 101 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623000000000000000000000000000000000000000000000000000000000000000001E00100800000828C18004000800400200880020D208000000002000000800818000080200100001000040000490000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminopent-4-enoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-4-pentenoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminopent-4-enoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanylpent-4-enoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-aminopent-4-enoic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WNNNWFKQCKFSDK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 115.063329 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H9NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 115.13046 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C=CCC(C(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C=CCC(C(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 63.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 115.063329 8 1 0 1 0 0 0 0 1 1