4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid

C10H14N2O4 — CID 54691775

IUPAC4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(C2CCNCC2)C1
InChIInChI=1S/C10H14N2O4/c13-8-7(10(15)16)5-12(9(8)14)6-1-3-11-4-2-6/h6,11,13H,1-5H2,(H,15,16)
InChIKeyDTWFHWITGAJTDS-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.52
Rot. Bonds2

About 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid

4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid (PubChem CID 54691775) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid
PubChem CID54691775
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(C2CCNCC2)C1
InChIInChI=1S/C10H14N2O4/c13-8-7(10(15)16)5-12(9(8)14)6-1-3-11-4-2-6/h6,11,13H,1-5H2,(H,15,16)
InChIKeyDTWFHWITGAJTDS-UHFFFAOYSA-N
XLogP-0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid (CID 54691775) is 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid is O=C(O)C1=C(O)C(=O)N(C2CCNCC2)C1.
What is the InChIKey of 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid?
The InChIKey is DTWFHWITGAJTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-8-7(10(15)16)5-12(9(8)14)6-1-3-11-4-2-6/h6,11,13H,1-5H2,(H,15,16).
What are the key properties of 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid?
4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).