3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C12H17N3O5 — CID 652154

IUPAC3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2C(=O)CCC2=O)C1=O
InChIInChI=1S/C12H17N3O5/c1-12(2)10(19)15(11(20)13-12)6-7(16)5-14-8(17)3-4-9(14)18/h7,16H,3-6H2,1-2H3,(H,13,20)
InChIKeyFJWUUYSNFMKTMG-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.17
Rot. Bonds4

About 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 652154) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID652154
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2C(=O)CCC2=O)C1=O
InChIInChI=1S/C12H17N3O5/c1-12(2)10(19)15(11(20)13-12)6-7(16)5-14-8(17)3-4-9(14)18/h7,16H,3-6H2,1-2H3,(H,13,20)
InChIKeyFJWUUYSNFMKTMG-UHFFFAOYSA-N
XLogP-1.17
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-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-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 652154) is 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)CN2C(=O)CCC2=O)C1=O.
What is the InChIKey of 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is FJWUUYSNFMKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-12(2)10(19)15(11(20)13-12)6-7(16)5-14-8(17)3-4-9(14)18/h7,16H,3-6H2,1-2H3,(H,13,20).
What are the key properties of 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 283.28 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 652154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).