imidazolidine-2,4-dione;propanoic acid

C6H10N2O4 — CID 66995748

IUPACimidazolidine-2,4-dione;propanoic acid
SMILESCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C3H6O2/c6-2-1-4-3(7)5-2;1-2-3(4)5/h1H2,(H2,4,5,6,7);2H2,1H3,(H,4,5)
InChIKeyYWMXDYJYLYUSAI-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.69
Rot. Bonds1

About imidazolidine-2,4-dione;propanoic acid

imidazolidine-2,4-dione;propanoic acid (PubChem CID 66995748) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is imidazolidine-2,4-dione;propanoic acid.

Molecular Properties

Compound Nameimidazolidine-2,4-dione;propanoic acid
PubChem CID66995748
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Nameimidazolidine-2,4-dione;propanoic acid
SMILESCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C3H4N2O2.C3H6O2/c6-2-1-4-3(7)5-2;1-2-3(4)5/h1H2,(H2,4,5,6,7);2H2,1H3,(H,4,5)
InChIKeyYWMXDYJYLYUSAI-UHFFFAOYSA-N
XLogP-0.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazolidine-2,4-dione;propanoic acid?
The IUPAC name of imidazolidine-2,4-dione;propanoic acid (CID 66995748) is imidazolidine-2,4-dione;propanoic acid.
What is the SMILES notation for imidazolidine-2,4-dione;propanoic acid?
The canonical SMILES for imidazolidine-2,4-dione;propanoic acid is CCC(=O)O.O=C1CNC(=O)N1.
What is the InChIKey of imidazolidine-2,4-dione;propanoic acid?
The InChIKey is YWMXDYJYLYUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2.C3H6O2/c6-2-1-4-3(7)5-2;1-2-3(4)5/h1H2,(H2,4,5,6,7);2H2,1H3,(H,4,5).
What are the key properties of imidazolidine-2,4-dione;propanoic acid?
imidazolidine-2,4-dione;propanoic acid has a molecular weight of 174.16 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidine-2,4-dione;propanoic acid is sourced from PubChem (CID 66995748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).