3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione

C14H23N3O4 — CID 115966197

IUPAC3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
SMILESCC(O)C1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)C1
InChIInChI=1S/C14H23N3O4/c1-10(18)11-5-7-16(8-11)12(19)4-3-6-17-13(20)9-15(2)14(17)21/h10-11,18H,3-9H2,1-2H3
InChIKeyXVAWQPKSSMMYBR-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.11
Rot. Bonds5

About 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione

3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione (PubChem CID 115966197) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
PubChem CID115966197
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
SMILESCC(O)C1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)C1
InChIInChI=1S/C14H23N3O4/c1-10(18)11-5-7-16(8-11)12(19)4-3-6-17-13(20)9-15(2)14(17)21/h10-11,18H,3-9H2,1-2H3
InChIKeyXVAWQPKSSMMYBR-UHFFFAOYSA-N
XLogP-0.11
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-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

Related Compounds

3-[4-(3,4-dihydroxypyrrolidin-1-yl)-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 106671587
5-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 112629395
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
CID 115966262
1-[6-oxo-6-[(3R)-3-propan-2-ylpyrrolidin-1-yl]hexyl]pyrrole-2,5-dione
CID 134403317
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379
1-methyl-3-(4-oxohexyl)imidazolidine-2,4-dione
CID 106801687
N-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 112627417
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136968769
4-(2-chlorophenoxy)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]butan-1-one
CID 110023487
3-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]butanoic acid
CID 43360769

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione (CID 115966197) is 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione is CC(O)C1CCN(C(=O)CCCN2C(=O)CN(C)C2=O)C1.
What is the InChIKey of 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is XVAWQPKSSMMYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(18)11-5-7-16(8-11)12(19)4-3-6-17-13(20)9-15(2)14(17)21/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 297.36 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 115966197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).