Secondary metabolite: (R)-2-(2-(furan-2-yl)-oxoethyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione Summary Molecular formula: C13H14N2O4
SMILES: O=C1N(CC(=O)N2[C@@H]1CCC2)CC(=O)c1ccco1 InChI: InChI=1S/C13H14N2O4/c16-10(11-4-2-6-19-11)7-14-8-12(17)15-5-1-3-9(15)13(14)18/h2,4,6,9H,1,3,5,7-8H2/t9-/m1/s1 InChIKey: PIVMKGZOXZAFPM-SECBINFHSA-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: (r)-2-(2-(furan-2-yl)-oxoethyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 262.26 Log P RDKit 0.3 Topological polar surface area (Å2 ) RDKit 70.83 Number of hydrogen bond acceptors RDKit 4 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 13 Number of heavy atoms RDKit 19 Number of heteroatoms RDKit 6 Number of nitrogen atoms RDKit 2 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 6 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.46 Shape complexity RDKit 0.46 Number of rotatable bonds SwissADME 3 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 2 Number of aliphatic rings RDKit 2 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 1 Number of aromatic rings RDKit 1 Total number of rings RDKit 3 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 2 Number of saturated rings RDKit 2 Number of Smallest Set of Smallest Rings (SSSR) RDKit 3
TOP ![(R)-2-(2-(furan-2-yl)-oxoethyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione](/mefsat/images/2D_IMAGE/PNG/MSID000121.png)
