617 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 8 7 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 13 7 14 7 5 11 12 6 7 8 9 10 1 1 1 1 2 1 1 1 1 1 1 1 1 5 4 6 7 8 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.5369 5.135 4.269 2.5369 3.403 3.403 4.269 3.403 3.615 4.0135 2 2.5369 2.5369 5.672 -1.19 0.31 1.81 0.81 0.31 -0.69 0.81 1.16 -1.2726 -0.5823 0.5 1.43 -1.81 0.62 3 5 8 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 72.6 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 0000037180423000000000000000000000000000000000000000000000000000000000000000001E00100800000828E180060008004002000800009008000000000000000000818000000210040000000040000130000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxy-propanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxypropanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxypropanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-azanyl-3-oxidanyl-propanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-amino-3-hydroxy-propionic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 MTCFGRXMJLQNBG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 105.042593 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H7NO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 105.09258 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(C(=O)O)N)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(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 2011.09.13 105.042593 7 1 0 1 0 0 0 0 1 1