5950 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 5 5 5 6 13 6 4 11 12 5 6 7 8 9 10 1 1 2 1 1 1 1 1 1 1 1 1 4 3 5 6 7 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 5.135 4.269 2.5369 3.403 3.403 4.269 3.403 2.783 3.403 4.023 2 2.5369 5.672 -0.25 1.25 0.25 -0.25 -1.25 0.25 0.37 -1.25 -1.87 -1.25 -0.06 0.87 0.06 6 4 3 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 61.8 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180423000000000000000000000000000000000000000000000000000000000000000001E00100800000828C180040208004002000800009008000000000000000000818000000200000000000040000010000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-aminopropanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-aminopropanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-aminopropanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-azanylpropanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-aminopropionic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QNAYBMKLOCPYGJ-REOHCLBHSA-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 CC(C(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C[C@@H](C(=O)O)N 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 1 1 0 0 0 0 0 1 1