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

C12H18N2O4 — CID 54691787

IUPAC4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCN2CCCCC2)C1
InChIInChI=1S/C12H18N2O4/c15-10-9(12(17)18)8-14(11(10)16)7-6-13-4-2-1-3-5-13/h15H,1-8H2,(H,17,18)
InChIKeyZGIJPNAQAUAITK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.21
Rot. Bonds4

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

4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid (PubChem CID 54691787) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid
PubChem CID54691787
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCN2CCCCC2)C1
InChIInChI=1S/C12H18N2O4/c15-10-9(12(17)18)8-14(11(10)16)7-6-13-4-2-1-3-5-13/h15H,1-8H2,(H,17,18)
InChIKeyZGIJPNAQAUAITK-UHFFFAOYSA-N
XLogP0.21
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid (CID 54691787) is 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid is O=C(O)C1=C(O)C(=O)N(CCN2CCCCC2)C1.
What is the InChIKey of 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
The InChIKey is ZGIJPNAQAUAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-9(12(17)18)8-14(11(10)16)7-6-13-4-2-1-3-5-13/h15H,1-8H2,(H,17,18).
What are the key properties of 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).