6603697 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 7 14 7 4 12 13 5 8 9 6 10 7 11 1 1 2 1 1 1 1 1 1 2 1 1 1 5 4 10 6 7 11 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.5369 3.403 6.001 5.135 5.135 4.269 3.403 4.5244 4.923 5.672 4.269 6.001 6.538 2 1 -0.5 -1 -0.5 0.5 1 0.5 -0.3923 -1.0826 0.81 1.62 -1.62 -0.69 0.69 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180623000000000000000000000000000000000000000000000000000000000000000001E00100800000800C18004000800400200880020D208008000000000000808800000400004000001000010000010000011800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-4-aminobut-2-enoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-4-amino-2-butenoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (<I>Z</I>)-4-aminobut-2-enoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-4-aminobut-2-enoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-4-azanylbut-2-enoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-4-aminobut-2-enoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FMKJUUQOYOHLTF-UPHRSURJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 101.047678466 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H7NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 101.10 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C=CC(=O)O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(/C=C\C(=O)O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 63.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 101.047678466 7 0 0 0 1 1 0 0 1 -1