4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

C9H14N2O4 — CID 4962194

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCC1(C)NC(=O)N(CCCC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-9(2)7(14)11(8(15)10-9)5-3-4-6(12)13/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyJDLQGFILKCTFKI-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.18
Rot. Bonds4

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (PubChem CID 4962194) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
PubChem CID4962194
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCC1(C)NC(=O)N(CCCC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-9(2)7(14)11(8(15)10-9)5-3-4-6(12)13/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyJDLQGFILKCTFKI-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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Related Compounds

2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 2386010
4-(3-Methyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962436
(4,4-Diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 3501226
(4-Ethyl-4-methyl-2,5-dioxo-imidazolidin-1-yl)-acetic acid
CID 3860988
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 3154173
Methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 43215732
4-(2,5-Dioxo-imidazolidin-1-yl)-butyric acid
CID 2554535
2-(4-Methyl-2,5-dioxo-1-(2,2,2-trifluoroethyl)imidazolidin-4-yl)acetic acid
CID 86707727
2-[4-Methyl-2,5-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-4-yl]acetic acid
CID 89921774
Methyl 4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanoate
CID 64264657
4-[4-Methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]butanoic acid
CID 64265060
2-(4-Ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
CID 81297119

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (CID 4962194) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is CC1(C)NC(=O)N(CCCC(=O)O)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The InChIKey is JDLQGFILKCTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(2)7(14)11(8(15)10-9)5-3-4-6(12)13/h3-5H2,1-2H3,(H,10,15)(H,12,13).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic 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 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 4962194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).