3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione

C12H19NO5 — CID 89363814

IUPAC3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCC(O)C(O)CC1C(=O)N(CC2CO2)C(=O)C1C
InChIInChI=1S/C12H19NO5/c1-6-9(3-10(15)7(2)14)12(17)13(11(6)16)4-8-5-18-8/h6-10,14-15H,3-5H2,1-2H3
InChIKeyGHJJBJYEAOPHBD-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.86
Rot. Bonds5

About 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione

3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 89363814) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID89363814
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCC(O)C(O)CC1C(=O)N(CC2CO2)C(=O)C1C
InChIInChI=1S/C12H19NO5/c1-6-9(3-10(15)7(2)14)12(17)13(11(6)16)4-8-5-18-8/h6-10,14-15H,3-5H2,1-2H3
InChIKeyGHJJBJYEAOPHBD-UHFFFAOYSA-N
XLogP-0.86
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione (CID 89363814) is 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione is CC(O)C(O)CC1C(=O)N(CC2CO2)C(=O)C1C.
What is the InChIKey of 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is GHJJBJYEAOPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-6-9(3-10(15)7(2)14)12(17)13(11(6)16)4-8-5-18-8/h6-10,14-15H,3-5H2,1-2H3.
What are the key properties of 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione?
3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 257.29 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxybutyl)-4-methyl-1-(oxiran-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 89363814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).