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

C10H14N2O4 — CID 76940566

IUPAC4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid
SMILESCCC1(C)NC(=O)N(CC=CC(=O)O)C1=O
InChIInChI=1S/C10H14N2O4/c1-3-10(2)8(15)12(9(16)11-10)6-4-5-7(13)14/h4-5H,3,6H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyFDZYSHSREHSKIW-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.35
Rot. Bonds4

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

4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid (PubChem CID 76940566) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid
PubChem CID76940566
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid
SMILESCCC1(C)NC(=O)N(CC=CC(=O)O)C1=O
InChIInChI=1S/C10H14N2O4/c1-3-10(2)8(15)12(9(16)11-10)6-4-5-7(13)14/h4-5H,3,6H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyFDZYSHSREHSKIW-UHFFFAOYSA-N
XLogP0.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

(E)-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]but-2-enoic acid
CID 64264662
4-[4-Methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]but-2-enoic acid
CID 77034724
3-Methyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]but-2-enoic acid
CID 77034751
2-Methyl-4-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]but-2-enoic acid
CID 77074717
(Z)-but-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide
CID 70348382
But-2-enedioic acid;2-(2,2,4-trimethyl-5-oxoimidazolidin-1-yl)acetamide
CID 70348384
(E)-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobut-2-enoic acid
CID 54875851
4-[(1-Methylpyrrolidin-3-yl)carbamoylamino]-4-oxobut-2-enoic acid
CID 54949788
(E)-4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 55162719
(E)-4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-oxobut-2-enoic acid
CID 55223996
4-[(3-Methylpyrrolidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 61227232
4-Oxo-4-(1-pyrrolidin-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 61477511

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
The IUPAC name of 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid (CID 76940566) is 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid.
What is the SMILES notation for 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
The canonical SMILES for 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid is CCC1(C)NC(=O)N(CC=CC(=O)O)C1=O.
What is the InChIKey of 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
The InChIKey is FDZYSHSREHSKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-10(2)8(15)12(9(16)11-10)6-4-5-7(13)14/h4-5H,3,6H2,1-2H3,(H,11,16)(H,13,14).
What are the key properties of 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid?
4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)but-2-enoic acid is sourced from PubChem (CID 76940566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).