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

C10H14N2O4 — CID 76975013

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H14N2O4/c1-6(4-7(13)14)5-12-8(15)10(2,3)11-9(12)16/h4H,5H2,1-3H3,(H,11,16)(H,13,14)
InChIKeyKAJRFAUWAJVIKO-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.35
Rot. Bonds3

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

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid (PubChem CID 76975013) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid
PubChem CID76975013
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C10H14N2O4/c1-6(4-7(13)14)5-12-8(15)10(2,3)11-9(12)16/h4H,5H2,1-3H3,(H,11,16)(H,13,14)
InChIKeyKAJRFAUWAJVIKO-UHFFFAOYSA-N
XLogP0.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid (CID 76975013) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid is CC(=CC(=O)O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid?
The InChIKey is KAJRFAUWAJVIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(4-7(13)14)5-12-8(15)10(2,3)11-9(12)16/h4H,5H2,1-3H3,(H,11,16)(H,13,14).
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbut-2-enoic acid is sourced from PubChem (CID 76975013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).