2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

C10H15BrN2O4 — CID 11324242

IUPAC2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1C(=O)N(CCC(Br)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C10H15BrN2O4/c1-10(2)8(16)13(9(17)12(10)3)5-4-6(11)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyUUXCRZQQEUWZFW-UHFFFAOYSA-N
MW307.14 g/mol
LogP0.90
Rot. Bonds4

About 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid

2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (PubChem CID 11324242) has the molecular formula C10H15BrN2O4 and a molecular weight of 307.14 g/mol. Its IUPAC name is 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
PubChem CID11324242
Molecular FormulaC10H15BrN2O4
Molecular Weight307.14 g/mol
Exact Mass306.02
IUPAC Name2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
SMILESCN1C(=O)N(CCC(Br)C(=O)O)C(=O)C1(C)C
InChIInChI=1S/C10H15BrN2O4/c1-10(2)8(16)13(9(17)12(10)3)5-4-6(11)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyUUXCRZQQEUWZFW-UHFFFAOYSA-N
XLogP0.90
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The IUPAC name of 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid (CID 11324242) is 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is CN1C(=O)N(CCC(Br)C(=O)O)C(=O)C1(C)C.
What is the InChIKey of 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
The InChIKey is UUXCRZQQEUWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O4/c1-10(2)8(16)13(9(17)12(10)3)5-4-6(11)7(14)15/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid?
2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid has a molecular weight of 307.14 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 11324242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).