2-oxoimidazolidine-4,5-dicarboxylic acid

C5H6N2O5 — CID 19082391

IUPAC2-oxoimidazolidine-4,5-dicarboxylic acid
SMILESO=C1NC(C(=O)O)C(C(=O)O)N1
InChIInChI=1S/C5H6N2O5/c8-3(9)1-2(4(10)11)7-5(12)6-1/h1-2H,(H,8,9)(H,10,11)(H2,6,7,12)
InChIKeyXTMPFXTWTYPFSH-UHFFFAOYSA-N
MW174.11 g/mol
LogP-1.79
Rot. Bonds2

About 2-oxoimidazolidine-4,5-dicarboxylic acid

2-oxoimidazolidine-4,5-dicarboxylic acid (PubChem CID 19082391) has the molecular formula C5H6N2O5 and a molecular weight of 174.11 g/mol. Its IUPAC name is 2-oxoimidazolidine-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-oxoimidazolidine-4,5-dicarboxylic acid
PubChem CID19082391
Molecular FormulaC5H6N2O5
Molecular Weight174.11 g/mol
Exact Mass174.03
IUPAC Name2-oxoimidazolidine-4,5-dicarboxylic acid
SMILESO=C1NC(C(=O)O)C(C(=O)O)N1
InChIInChI=1S/C5H6N2O5/c8-3(9)1-2(4(10)11)7-5(12)6-1/h1-2H,(H,8,9)(H,10,11)(H2,6,7,12)
InChIKeyXTMPFXTWTYPFSH-UHFFFAOYSA-N
XLogP-1.79
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxoimidazolidine-4,5-dicarboxylic acid?
The IUPAC name of 2-oxoimidazolidine-4,5-dicarboxylic acid (CID 19082391) is 2-oxoimidazolidine-4,5-dicarboxylic acid.
What is the SMILES notation for 2-oxoimidazolidine-4,5-dicarboxylic acid?
The canonical SMILES for 2-oxoimidazolidine-4,5-dicarboxylic acid is O=C1NC(C(=O)O)C(C(=O)O)N1.
What is the InChIKey of 2-oxoimidazolidine-4,5-dicarboxylic acid?
The InChIKey is XTMPFXTWTYPFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O5/c8-3(9)1-2(4(10)11)7-5(12)6-1/h1-2H,(H,8,9)(H,10,11)(H2,6,7,12).
What are the key properties of 2-oxoimidazolidine-4,5-dicarboxylic acid?
2-oxoimidazolidine-4,5-dicarboxylic acid has a molecular weight of 174.11 g/mol, XLogP of -1.79, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoimidazolidine-4,5-dicarboxylic acid is sourced from PubChem (CID 19082391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).