3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid

C7H8N2O4 — CID 19910903

IUPAC3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESC=C1NC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C7H8N2O4/c1-4-6(12)9(7(13)8-4)3-2-5(10)11/h1-3H2,(H,8,13)(H,10,11)
InChIKeyVOIIBGPUBBBRPY-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.47
Rot. Bonds3

About 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid

3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 19910903) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID19910903
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESC=C1NC(=O)N(CCC(=O)O)C1=O
InChIInChI=1S/C7H8N2O4/c1-4-6(12)9(7(13)8-4)3-2-5(10)11/h1-3H2,(H,8,13)(H,10,11)
InChIKeyVOIIBGPUBBBRPY-UHFFFAOYSA-N
XLogP-0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.47
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 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid (CID 19910903) is 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid is C=C1NC(=O)N(CCC(=O)O)C1=O.
What is the InChIKey of 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is VOIIBGPUBBBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4-6(12)9(7(13)8-4)3-2-5(10)11/h1-3H2,(H,8,13)(H,10,11).
What are the key properties of 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid?
3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 184.15 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylidene-2,5-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 19910903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).