3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid

C7H10N2O4 — CID 121449082

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid
SMILESCC(CC1NC(=O)NC1=O)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-3(6(11)12)2-4-5(10)9-7(13)8-4/h3-4H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyZKUKTFWSXAWZNK-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.69
Rot. Bonds3

About 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid

3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid (PubChem CID 121449082) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid
PubChem CID121449082
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid
SMILESCC(CC1NC(=O)NC1=O)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-3(6(11)12)2-4-5(10)9-7(13)8-4/h3-4H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyZKUKTFWSXAWZNK-UHFFFAOYSA-N
XLogP-0.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoate
CID 137467945
5-(3,3,3-trifluoro-2-methylpropyl)imidazolidine-2,4-dione
CID 137408677
5-propylimidazolidine-2,4-dione
CID 567619
1-O-[(2,5-dioxoimidazolidin-4-yl)methyl] 4-O-(2-methylpropanoyloxymethyl) (E)-but-2-enedioate
CID 122447609
methyl 2-methyl-3-(2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 70588609
2-amino-4-methylsulfanylbutanoic acid;ethane;methanamine;5-(2-methylsulfanylethyl)imidazolidine-2,4-dione
CID 91081104
5-phenacylimidazolidine-2,4-dione
CID 15716927
(5S)-5-(methylsulfonylmethyl)imidazolidine-2,4-dione
CID 59794401
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
2-(2,5-dioxoimidazolidin-4-yl)propanal
CID 88783473
N-[3-[(4S)-2,5-dioxoimidazolidin-4-yl]propyl]acetamide
CID 99868106
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid (CID 121449082) is 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid is CC(CC1NC(=O)NC1=O)C(=O)O.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid?
The InChIKey is ZKUKTFWSXAWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-3(6(11)12)2-4-5(10)9-7(13)8-4/h3-4H,2H2,1H3,(H,11,12)(H2,8,9,10,13).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid?
3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid has a molecular weight of 186.17 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 121449082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).