5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C13H21N3O4 — CID 62371838

IUPAC5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)N2CCC(CO)C2)C1=O
InChIInChI=1S/C13H21N3O4/c1-3-13(2)11(19)16(12(20)14-13)7-10(18)15-5-4-9(6-15)8-17/h9,17H,3-8H2,1-2H3,(H,14,20)
InChIKeyDDNCMKKZNOXCQX-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.45
Rot. Bonds4

About 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 62371838) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID62371838
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCCC1(C)NC(=O)N(CC(=O)N2CCC(CO)C2)C1=O
InChIInChI=1S/C13H21N3O4/c1-3-13(2)11(19)16(12(20)14-13)7-10(18)15-5-4-9(6-15)8-17/h9,17H,3-8H2,1-2H3,(H,14,20)
InChIKeyDDNCMKKZNOXCQX-UHFFFAOYSA-N
XLogP-0.45
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
(5S)-3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 31482275
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione
CID 119375972
(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 95166292
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
N-cyclopentyl-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60623061
N-cyclopentyloxy-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 83236618
ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 94154833
3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 115775078
ethyl 4-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-oxobutanoate
CID 95357591

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 62371838) is 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CCC1(C)NC(=O)N(CC(=O)N2CCC(CO)C2)C1=O.
What is the InChIKey of 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DDNCMKKZNOXCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-3-13(2)11(19)16(12(20)14-13)7-10(18)15-5-4-9(6-15)8-17/h9,17H,3-8H2,1-2H3,(H,14,20).
What are the key properties of 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 283.33 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 62371838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).