2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid

C8H8N4O4 — CID 107841970

IUPAC2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2C(=O)CNC2=O)cn1
InChIInChI=1S/C8H8N4O4/c13-6-2-9-8(16)12(6)5-1-10-11(3-5)4-7(14)15/h1,3H,2,4H2,(H,9,16)(H,14,15)
InChIKeyKCOMONZXFMNTSJ-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.98
Rot. Bonds3

About 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid

2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid (PubChem CID 107841970) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid
PubChem CID107841970
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(N2C(=O)CNC2=O)cn1
InChIInChI=1S/C8H8N4O4/c13-6-2-9-8(16)12(6)5-1-10-11(3-5)4-7(14)15/h1,3H,2,4H2,(H,9,16)(H,14,15)
InChIKeyKCOMONZXFMNTSJ-UHFFFAOYSA-N
XLogP-0.98
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid (CID 107841970) is 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(N2C(=O)CNC2=O)cn1.
What is the InChIKey of 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid?
The InChIKey is KCOMONZXFMNTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c13-6-2-9-8(16)12(6)5-1-10-11(3-5)4-7(14)15/h1,3H,2,4H2,(H,9,16)(H,14,15).
What are the key properties of 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid?
2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid has a molecular weight of 224.18 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dioxoimidazolidin-1-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107841970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).