4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid

C9H14N2O4 — CID 107841978

IUPAC4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1C(=O)CNC1=O
InChIInChI=1S/C9H14N2O4/c1-9(2,4-3-7(13)14)11-6(12)5-10-8(11)15/h3-5H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyDQDXPWDIFWUZQU-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.18
Rot. Bonds4

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

4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid (PubChem CID 107841978) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
PubChem CID107841978
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1C(=O)CNC1=O
InChIInChI=1S/C9H14N2O4/c1-9(2,4-3-7(13)14)11-6(12)5-10-8(11)15/h3-5H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyDQDXPWDIFWUZQU-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

3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide
CID 106098925
4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid
CID 62044403
4-methyl-4-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 62049282
4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-4-methylpentanoic acid
CID 62044608
benzene;3-tert-butylimidazolidine-2,4-dione
CID 70509532
2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid
CID 82239395
(2S)-2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108752
2-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 22390018
3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione
CID 107842211
3-(2-hydroxy-2-methylpentyl)imidazolidine-2,4-dione
CID 103936406
3-(4-hydroxy-2,2-dimethylbutyl)imidazolidine-2,4-dione
CID 103936481
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid
CID 62049092

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The IUPAC name of 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid (CID 107841978) is 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid is CC(C)(CCC(=O)O)N1C(=O)CNC1=O.
What is the InChIKey of 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
The InChIKey is DQDXPWDIFWUZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(2,4-3-7(13)14)11-6(12)5-10-8(11)15/h3-5H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid?
4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic 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-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 107841978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).