239 1 2 3 4 5 6 7 8 9 10 11 12 13 8 8 7 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 4 5 5 6 13 6 5 11 12 5 6 7 8 9 10 1 1 2 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 2.5369 3.403 6.001 4.269 5.135 3.403 4.6675 3.8705 4.7365 5.5335 6.538 6.001 2 0.44 -1.06 0.44 0.44 -0.06 -0.06 0.9149 0.9149 -0.5349 -0.5349 0.13 1.06 0.13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 52.8 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180423000000000000000000000000000000000000000000000000000000000000000001E00100800000800C180040008004002000800009008000000000000000000810000000000080000000040000210000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 3-aminopropanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 3-aminopropanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 3-aminopropanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3-azanylpropanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-aminopropionic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 UCMIRNVEIXFBKS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 89.047678 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H7NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 89.09318 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CN)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CN)C(=O)O 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 89.047678 6 0 0 0 0 0 0 0 1 1