2,5-dihydropyrrole-1,3-dicarboxylic acid

C6H7NO4 — CID 18463030

IUPAC2,5-dihydropyrrole-1,3-dicarboxylic acid
SMILESO=C(O)C1=CCN(C(=O)O)C1
InChIInChI=1S/C6H7NO4/c8-5(9)4-1-2-7(3-4)6(10)11/h1H,2-3H2,(H,8,9)(H,10,11)
InChIKeyXRUAYOALCCFEAE-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.01
Rot. Bonds1

About 2,5-dihydropyrrole-1,3-dicarboxylic acid

2,5-dihydropyrrole-1,3-dicarboxylic acid (PubChem CID 18463030) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 2,5-dihydropyrrole-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2,5-dihydropyrrole-1,3-dicarboxylic acid
PubChem CID18463030
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name2,5-dihydropyrrole-1,3-dicarboxylic acid
SMILESO=C(O)C1=CCN(C(=O)O)C1
InChIInChI=1S/C6H7NO4/c8-5(9)4-1-2-7(3-4)6(10)11/h1H,2-3H2,(H,8,9)(H,10,11)
InChIKeyXRUAYOALCCFEAE-UHFFFAOYSA-N
XLogP-0.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrole-1,3-dicarboxylic acid?
The IUPAC name of 2,5-dihydropyrrole-1,3-dicarboxylic acid (CID 18463030) is 2,5-dihydropyrrole-1,3-dicarboxylic acid.
What is the SMILES notation for 2,5-dihydropyrrole-1,3-dicarboxylic acid?
The canonical SMILES for 2,5-dihydropyrrole-1,3-dicarboxylic acid is O=C(O)C1=CCN(C(=O)O)C1.
What is the InChIKey of 2,5-dihydropyrrole-1,3-dicarboxylic acid?
The InChIKey is XRUAYOALCCFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c8-5(9)4-1-2-7(3-4)6(10)11/h1H,2-3H2,(H,8,9)(H,10,11).
What are the key properties of 2,5-dihydropyrrole-1,3-dicarboxylic acid?
2,5-dihydropyrrole-1,3-dicarboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrole-1,3-dicarboxylic acid is sourced from PubChem (CID 18463030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).