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

C9H8N2O5 — CID 118972738

IUPAC2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC(c2ccco2)C1=O
InChIInChI=1S/C9H8N2O5/c12-6(13)4-11-8(14)7(10-9(11)15)5-2-1-3-16-5/h1-3,7H,4H2,(H,10,15)(H,12,13)
InChIKeyXMJYXXGETQXLRY-UHFFFAOYSA-N
MW224.17 g/mol
LogP-0.04
Rot. Bonds3

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

2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 118972738) has the molecular formula C9H8N2O5 and a molecular weight of 224.17 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID118972738
Molecular FormulaC9H8N2O5
Molecular Weight224.17 g/mol
Exact Mass224.04
IUPAC Name2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC(c2ccco2)C1=O
InChIInChI=1S/C9H8N2O5/c12-6(13)4-11-8(14)7(10-9(11)15)5-2-1-3-16-5/h1-3,7H,4H2,(H,10,15)(H,12,13)
InChIKeyXMJYXXGETQXLRY-UHFFFAOYSA-N
XLogP-0.04
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 118972738) is 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid is O=C(O)CN1C(=O)NC(c2ccco2)C1=O.
What is the InChIKey of 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is XMJYXXGETQXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O5/c12-6(13)4-11-8(14)7(10-9(11)15)5-2-1-3-16-5/h1-3,7H,4H2,(H,10,15)(H,12,13).
What are the key properties of 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 224.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 118972738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).