4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid

C9H11NO5 — CID 15710301

IUPAC4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid
SMILESCOC(=O)c1c(OC)cc(C(=O)O)n1C
InChIInChI=1S/C9H11NO5/c1-10-5(8(11)12)4-6(14-2)7(10)9(13)15-3/h4H,1-3H3,(H,11,12)
InChIKeyMKEOVVBJUBNVDD-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.52
Rot. Bonds3

About 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid

4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid (PubChem CID 15710301) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid
PubChem CID15710301
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid
SMILESCOC(=O)c1c(OC)cc(C(=O)O)n1C
InChIInChI=1S/C9H11NO5/c1-10-5(8(11)12)4-6(14-2)7(10)9(13)15-3/h4H,1-3H3,(H,11,12)
InChIKeyMKEOVVBJUBNVDD-UHFFFAOYSA-N
XLogP0.52
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid (CID 15710301) is 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid is COC(=O)c1c(OC)cc(C(=O)O)n1C.
What is the InChIKey of 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid?
The InChIKey is MKEOVVBJUBNVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-10-5(8(11)12)4-6(14-2)7(10)9(13)15-3/h4H,1-3H3,(H,11,12).
What are the key properties of 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid?
4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methoxycarbonyl-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 15710301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).