3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione

C14H23N3O4 — CID 115775078

IUPAC3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCC(CCO)C2)C1=O
InChIInChI=1S/C14H23N3O4/c1-14(2)12(20)17(13(21)15-14)7-4-11(19)16-6-3-10(9-16)5-8-18/h10,18H,3-9H2,1-2H3,(H,15,21)
InChIKeyZHKKGYZCPOYWMX-UHFFFAOYSA-N
MW297.35 g/mol
LogP-0.06
Rot. Bonds5

About 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 115775078) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID115775078
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCC(=O)N2CCC(CCO)C2)C1=O
InChIInChI=1S/C14H23N3O4/c1-14(2)12(20)17(13(21)15-14)7-4-11(19)16-6-3-10(9-16)5-8-18/h10,18H,3-9H2,1-2H3,(H,15,21)
InChIKeyZHKKGYZCPOYWMX-UHFFFAOYSA-N
XLogP-0.06
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-0.06
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

3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43393443
5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 60655462
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62020103
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
3-[3-[(3S)-3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124686592
3-[3-[(3R)-3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124688347
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469
3-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55469761
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115775184
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 115775093
5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 62371838

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 115775078) is 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCC(=O)N2CCC(CCO)C2)C1=O.
What is the InChIKey of 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZHKKGYZCPOYWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(2)12(20)17(13(21)15-14)7-4-11(19)16-6-3-10(9-16)5-8-18/h10,18H,3-9H2,1-2H3,(H,15,21).
What are the key properties of 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 297.35 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 115775078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).