119 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 5 6 6 7 16 7 6 14 15 5 6 8 9 7 10 11 12 13 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.5369 3.403 6.8671 5.135 4.269 6.001 3.403 4.7365 5.5335 4.6675 3.8705 6.3996 5.6025 7.404 6.8671 2 0.75 -0.75 0.25 0.25 0.75 0.75 0.25 -0.2249 -0.2249 1.225 1.225 1.225 1.225 0.56 -0.37 0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 62.7 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 00000371C0623000000000000000000000000000000000000000000000000000000000000000001E00100800000800C180040008004002000800009008000000000000000000810000000000100080000040000410000000002400000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-aminobutanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-aminobutanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-aminobutanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-azanylbutanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-aminobutyric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 BTCSSZJGUNDROE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 103.063329 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H9NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 103.11976 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)CN SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)CN 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 2011.09.13 103.063329 7 0 0 0 0 0 0 0 1 1