5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid

C7H9NO4 — CID 91286972

IUPAC5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid
SMILESCOc1c(C(=O)O)cn(C)c1O
InChIInChI=1S/C7H9NO4/c1-8-3-4(7(10)11)5(12-2)6(8)9/h3,9H,1-2H3,(H,10,11)
InChIKeyOWRMXYTVHGOXRJ-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.44
Rot. Bonds2

About 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid

5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid (PubChem CID 91286972) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid
PubChem CID91286972
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid
SMILESCOc1c(C(=O)O)cn(C)c1O
InChIInChI=1S/C7H9NO4/c1-8-3-4(7(10)11)5(12-2)6(8)9/h3,9H,1-2H3,(H,10,11)
InChIKeyOWRMXYTVHGOXRJ-UHFFFAOYSA-N
XLogP0.44
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15675271
2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
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2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
3-hydroxy-2,4-dimethoxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid?
The IUPAC name of 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid (CID 91286972) is 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid is COc1c(C(=O)O)cn(C)c1O.
What is the InChIKey of 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid?
The InChIKey is OWRMXYTVHGOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-8-3-4(7(10)11)5(12-2)6(8)9/h3,9H,1-2H3,(H,10,11).
What are the key properties of 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid?
5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methoxy-1-methylpyrrole-3-carboxylic acid is sourced from PubChem (CID 91286972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).