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

C6H7NO4 — CID 54691718

IUPAC4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C6H7NO4/c1-7-2-3(6(10)11)4(8)5(7)9/h8H,2H2,1H3,(H,10,11)
InChIKeyUXYJMWIHDZCOHX-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.64
Rot. Bonds1

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

4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid (PubChem CID 54691718) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid
PubChem CID54691718
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid
SMILESCN1CC(C(=O)O)=C(O)C1=O
InChIInChI=1S/C6H7NO4/c1-7-2-3(6(10)11)4(8)5(7)9/h8H,2H2,1H3,(H,10,11)
InChIKeyUXYJMWIHDZCOHX-UHFFFAOYSA-N
XLogP-0.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-oxo-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxylic acid
CID 54691714
1-(2-fluoroethyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691776
4-acetyloxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid
CID 21054191
4-methoxy-5-oxo-1-propan-2-yl-2H-pyrrole-3-carboxylic acid
CID 22937798
4-methoxy-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid
CID 22937854
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-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691747
4-hydroxy-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691751
4-hydroxy-1-(4-hydroxybutyl)-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691758
1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691762
1-[4-(dimethylamino)-4-oxobutyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylic acid
CID 54691773

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid (CID 54691718) is 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid is CN1CC(C(=O)O)=C(O)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid?
The InChIKey is UXYJMWIHDZCOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-7-2-3(6(10)11)4(8)5(7)9/h8H,2H2,1H3,(H,10,11).
What are the key properties of 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid?
4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid has a molecular weight of 157.12 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 54691718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).