2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid

C10H16N2O4 — CID 82028835

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)6(7(13)14)12-8(15)10(3,4)11-9(12)16/h5-6H,1-4H3,(H,11,16)(H,13,14)
InChIKeyRWBOFBUXELOWBT-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.43
Rot. Bonds3

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid (PubChem CID 82028835) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid
PubChem CID82028835
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)6(7(13)14)12-8(15)10(3,4)11-9(12)16/h5-6H,1-4H3,(H,11,16)(H,13,14)
InChIKeyRWBOFBUXELOWBT-UHFFFAOYSA-N
XLogP0.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.43
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

(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488
2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-3-methylbutanoic acid
CID 82149091
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 11402201
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid;(2R)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 160791628
3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 173212284
5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione
CID 69251235
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
3-methyl-2-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)butanoic acid
CID 167096416
(2R)-3-methyl-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)butanoic acid
CID 1178579
3-methyl-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)butanoic acid
CID 2837511
(2S)-2-[(2S,6S,8R,12S)-10-[(1R)-1-carboxy-2-methylpropyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]-3-methylbutanoic acid
CID 125037411
2-[10-(1-carboxy-2-methylpropyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]-3-methylbutanoic acid
CID 3281789

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid (CID 82028835) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid is CC(C)C(C(=O)O)N1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid?
The InChIKey is RWBOFBUXELOWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5(2)6(7(13)14)12-8(15)10(3,4)11-9(12)16/h5-6H,1-4H3,(H,11,16)(H,13,14).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid has a molecular weight of 228.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 82028835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).