57028399 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 16 8 5 7 8 6 7 15 6 9 10 11 12 13 14 1 1 2 1 1 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 15 16 2 3.732 2.866 3.366 2.057 2.366 3.675 2.866 1.4906 1.747 2.4308 1.7596 3.985 4.2414 3.7304 2 -1.4602 -1.4602 0.0398 1.5786 0.6276 1.5786 0.6276 -0.9602 0.8797 0.0906 2.1952 1.7075 0.0906 0.8797 2.0802 -2.0802 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 104 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0633000000000000000000000000000000160000000000000000000000000000000001E00100800000000C10004010803C002000800000018000000000000000000800800008040000000001000000817020000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 imidazolidine-1-carboxylic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-imidazolidinecarboxylic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 imidazolidine-1-carboxylic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 imidazolidine-1-carboxylic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 imidazolidine-1-carboxylic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 imidazolidine-1-carboxylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H8N2O2/c7-4(8)6-2-1-5-3-6/h5H,1-3H2,(H,7,8) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XOAYKINYVYDPDF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 116.058577502 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H8N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 116.12 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CN1)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CN1)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 116.058577502 8 0 0 0 0 0 0 0 1 -1