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

C11H17N3O4 — CID 54691753

IUPAC4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCN2CCNCC2)C1
InChIInChI=1S/C11H17N3O4/c15-9-8(11(17)18)7-14(10(9)16)6-5-13-3-1-12-2-4-13/h12,15H,1-7H2,(H,17,18)
InChIKeyALGJYMRBGCOGMR-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.37
Rot. Bonds4

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

4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid (PubChem CID 54691753) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid
PubChem CID54691753
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid
SMILESO=C(O)C1=C(O)C(=O)N(CCN2CCNCC2)C1
InChIInChI=1S/C11H17N3O4/c15-9-8(11(17)18)7-14(10(9)16)6-5-13-3-1-12-2-4-13/h12,15H,1-7H2,(H,17,18)
InChIKeyALGJYMRBGCOGMR-UHFFFAOYSA-N
XLogP-1.37
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]ethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691715
1-(3-amino-3-oxopropyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691720
1-(2-aminoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691721
4-hydroxy-1-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691724
4-hydroxy-1-[2-(3-morpholin-4-ylpropanoylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691727
4-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691740
4-hydroxy-1-[2-(methylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691744
4-hydroxy-1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691747
4-hydroxy-1-[2-(2-hydroxyethylamino)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691752
1-(2-amino-2-oxoethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691754
4-hydroxy-5-oxo-1-piperidin-3-yl-2H-pyrrole-3-carboxylic acid
CID 54691767
4-hydroxy-1-[2-[methyl(methylcarbamoyl)amino]ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691768

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid (CID 54691753) is 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid is O=C(O)C1=C(O)C(=O)N(CCN2CCNCC2)C1.
What is the InChIKey of 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
The InChIKey is ALGJYMRBGCOGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-9-8(11(17)18)7-14(10(9)16)6-5-13-3-1-12-2-4-13/h12,15H,1-7H2,(H,17,18).
What are the key properties of 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid?
4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).