2149 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 5 16 8 17 8 7 14 15 6 7 9 8 10 11 12 13 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 5 1 6 7 9 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 4.269 6.8671 6.001 2.5369 4.269 5.135 3.403 6.001 4.8059 5.5335 4.7365 3.8015 3.0044 2 2.5369 3.732 7.404 -0.595 0.905 -0.595 0.405 0.405 0.905 0.905 0.405 0.095 1.38 1.38 1.38 1.38 0.715 -0.215 -0.905 0.595 3 5 1 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 83.4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623000000000000000000000000000000000000000000000000000000000000000001E00100800000814E180060008004002000800009008000000000000000000810000000210140080000040000530000000002400000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-amino-3-hydroxy-butanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-amino-3-hydroxybutanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-amino-3-hydroxybutanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-azanyl-3-oxidanyl-butanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-amino-3-hydroxy-butyric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YQGDEPYYFWUPGO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -4.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 119.058243 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H9NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 119.11916 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(CN)O)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(CN)O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 83.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 119.058243 8 1 0 1 0 0 0 0 1 1