Secondary metabolite: Methyl (2s)-1-[2-(furan-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylate Summary Molecular formula: C12H13NO5
SMILES: COC(=O)[C@@H]1CCC(=O)N1CC(=O)c1ccco1 InChI: InChI=1S/C12H13NO5/c1-17-12(16)8-4-5-11(15)13(8)7-9(14)10-3-2-6-18-10/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1 InChIKey: ZIBXGQZPYZZQRJ-QMMMGPOBSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic acids and derivatives Class: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues
Synonymous chemical names: methyl (2s)-1-[2-(furan-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylate
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 251.24 Log P RDKit 0.63 Topological polar surface area (Å2 ) RDKit 76.82 Number of hydrogen bond acceptors RDKit 5 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 12 Number of heavy atoms RDKit 18 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 1 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 1 Stereochemical complexity RDKit 0.08 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 7 Number of sp3 hybridized carbon atoms RDKit 5 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.42 Shape complexity RDKit 0.42 Number of rotatable bonds SwissADME 5 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 1 Number of aromatic rings RDKit 1 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
TOP ![Methyl (2s)-1-[2-(furan-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylate](/mefsat/images/2D_IMAGE/PNG/MSID001801.png)
