4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid

C8H10N2O4 — CID 76941171

IUPAC4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid
SMILESCN1CC(=O)N(CC=CC(=O)O)C1=O
InChIInChI=1S/C8H10N2O4/c1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyUCKGJKRGLKYMKG-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.48
Rot. Bonds3

About 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid

4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid (PubChem CID 76941171) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid
PubChem CID76941171
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid
SMILESCN1CC(=O)N(CC=CC(=O)O)C1=O
InChIInChI=1S/C8H10N2O4/c1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyUCKGJKRGLKYMKG-UHFFFAOYSA-N
XLogP-0.48
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
The IUPAC name of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid (CID 76941171) is 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid.
What is the SMILES notation for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
The canonical SMILES for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid is CN1CC(=O)N(CC=CC(=O)O)C1=O.
What is the InChIKey of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
The InChIKey is UCKGJKRGLKYMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-9-5-6(11)10(8(9)14)4-2-3-7(12)13/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid is sourced from PubChem (CID 76941171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).