2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C11H18N2O4 — CID 4961607

IUPAC2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC(C)CCC1(C)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C11H18N2O4/c1-7(2)4-5-11(3)9(16)13(6-8(14)15)10(17)12-11/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)
InChIKeyGGWVPJWQTBHVFC-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.82
Rot. Bonds5

About 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 4961607) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID4961607
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC(C)CCC1(C)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C11H18N2O4/c1-7(2)4-5-11(3)9(16)13(6-8(14)15)10(17)12-11/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)
InChIKeyGGWVPJWQTBHVFC-UHFFFAOYSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.82
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-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 4961607) is 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is CC(C)CCC1(C)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is GGWVPJWQTBHVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(2)4-5-11(3)9(16)13(6-8(14)15)10(17)12-11/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15).
What are the key properties of 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 242.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 4961607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).