535 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 14 7 4 12 13 5 6 7 6 8 9 10 11 1 1 2 1 1 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 14 4.366 2.866 3.366 2.866 2 2 3.366 1.3894 2.212 2.212 1.3894 3.056 3.986 4.676 -0.7015 -1.5675 1.0306 0.1645 -0.3355 0.6645 -0.7015 -0.4431 -0.9181 1.2472 0.7722 1.5675 1.0306 -1.2384 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 106 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 0000037180623000000000000000000000001800000000000000000000000000000000000000001E00100800000C888180000008004002000800009008000000000000000000018000000200100000000040000410000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-aminocyclopropanecarboxylic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-amino-1-cyclopropanecarboxylic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-aminocyclopropane-1-carboxylic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-azanylcyclopropane-1-carboxylic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-aminocyclopropanecarboxylic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PAJPWUMXBYXFCZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 101.047678 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H7NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 101.10388 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC1(C(=O)O)N SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC1(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 2011.09.13 101.047678 7 0 0 0 0 0 0 0 1 1