2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid

C11H18N2O4 — CID 2113910

IUPAC2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid
SMILESCCCC1(CCC)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C11H18N2O4/c1-3-5-11(6-4-2)9(16)13(7-8(14)15)10(17)12-11/h3-7H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyXQQYJXSNRLUTKD-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.96
Rot. Bonds6

About 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid (PubChem CID 2113910) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid
PubChem CID2113910
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid
SMILESCCCC1(CCC)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C11H18N2O4/c1-3-5-11(6-4-2)9(16)13(7-8(14)15)10(17)12-11/h3-7H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyXQQYJXSNRLUTKD-UHFFFAOYSA-N
XLogP0.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid (CID 2113910) is 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid is CCCC1(CCC)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid?
The InChIKey is XQQYJXSNRLUTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-5-11(6-4-2)9(16)13(7-8(14)15)10(17)12-11/h3-7H2,1-2H3,(H,12,17)(H,14,15).
What are the key properties of 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid?
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid has a molecular weight of 242.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 2113910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).