2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid

C9H14N2O4 — CID 3501226

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-3-9(4-2)7(14)11(5-6(12)13)8(15)10-9/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyBKCYHQOVVIWYSH-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.18
Rot. Bonds4

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid (PubChem CID 3501226) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
PubChem CID3501226
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
SMILESCCC1(CC)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-3-9(4-2)7(14)11(5-6(12)13)8(15)10-9/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyBKCYHQOVVIWYSH-UHFFFAOYSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.18
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-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid (CID 3501226) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid is CCC1(CC)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
The InChIKey is BKCYHQOVVIWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-9(4-2)7(14)11(5-6(12)13)8(15)10-9/h3-5H2,1-2H3,(H,10,15)(H,12,13).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid has a molecular weight of 214.22 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 3501226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).