3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione

C9H16N2O5 — CID 10933338

IUPAC3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(O)CO)C(=O)N1CO
InChIInChI=1S/C9H16N2O5/c1-9(2)7(15)10(3-6(14)4-12)8(16)11(9)5-13/h6,12-14H,3-5H2,1-2H3
InChIKeyXRQXQWNHVIDMRJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.67
Rot. Bonds4

About 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione

3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 10933338) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID10933338
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CC(O)CO)C(=O)N1CO
InChIInChI=1S/C9H16N2O5/c1-9(2)7(15)10(3-6(14)4-12)8(16)11(9)5-13/h6,12-14H,3-5H2,1-2H3
InChIKeyXRQXQWNHVIDMRJ-UHFFFAOYSA-N
XLogP-1.67
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 10933338) is 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(CC(O)CO)C(=O)N1CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XRQXQWNHVIDMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-9(2)7(15)10(3-6(14)4-12)8(16)11(9)5-13/h6,12-14H,3-5H2,1-2H3.
What are the key properties of 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of -1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 10933338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).