205 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 7 7 7 5 16 8 17 8 6 14 15 6 7 10 8 9 11 12 13 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 5 1 6 7 10 3 1 6 4 5 8 9 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6.001 2.5369 3.403 4.269 5.135 4.269 5.135 3.403 5.0051 5.135 5.755 5.135 4.515 3.732 4.8059 6.538 2 -0.095 -0.095 1.405 -1.095 0.405 -0.095 1.405 0.405 -0.52 -0.445 1.405 2.025 1.405 -1.405 -1.405 0.215 0.215 3 3 5 6 10 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 93.3 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0623000000000000000000000000000000000000000000000000000000000000000001E0010080000083CE180060208004002000800009008000000000000000000818000000210140000000040000530000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxy-butanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxybutanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxybutanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanyl-3-oxidanyl-butanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxy-butyric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 AYFVYJQAPQTCCC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.9 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 CC(C(C(=O)O)N)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C(C(=O)O)N)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 2 0 2 0 0 0 0 1 1