4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid

C7H9NO5 — CID 54691751

IUPAC4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCO)C1
InChIInChI=1S/C7H9NO5/c9-2-1-8-3-4(7(12)13)5(10)6(8)11/h9-10H,1-3H2,(H,12,13)
InChIKeyMANLUPJLFQAEEL-UHFFFAOYSA-N
MW187.15 g/mol
LogP-1.28
Rot. Bonds3

About 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid

4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691751) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691751
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCO)C1
InChIInChI=1S/C7H9NO5/c9-2-1-8-3-4(7(12)13)5(10)6(8)11/h9-10H,1-3H2,(H,12,13)
InChIKeyMANLUPJLFQAEEL-UHFFFAOYSA-N
XLogP-1.28
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691751) is 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid is O=C(O)C1=C(O)C(=O)N(CCO)C1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is MANLUPJLFQAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c9-2-1-8-3-4(7(12)13)5(10)6(8)11/h9-10H,1-3H2,(H,12,13).
What are the key properties of 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid?
4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 187.15 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).