5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid

C10H13NO4 — CID 2446824

IUPAC5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1[nH]c(C(=O)O)c(C)c1C(=O)OC
InChIInChI=1S/C10H13NO4/c1-4-6-7(10(14)15-3)5(2)8(11-6)9(12)13/h11H,4H2,1-3H3,(H,12,13)
InChIKeyUSHDUEUJFBPDNZ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.37
Rot. Bonds3

About 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid

5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 2446824) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID2446824
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
SMILESCCc1[nH]c(C(=O)O)c(C)c1C(=O)OC
InChIInChI=1S/C10H13NO4/c1-4-6-7(10(14)15-3)5(2)8(11-6)9(12)13/h11H,4H2,1-3H3,(H,12,13)
InChIKeyUSHDUEUJFBPDNZ-UHFFFAOYSA-N
XLogP1.37
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 36679757
methyl 5-[(1-amino-1-oxopropan-2-yl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 134045726
methyl 2-ethyl-5-[ethyl(2-methylprop-2-enyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31832696
methyl 5-(1-cyclopropylethylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 47123942
4-O-methyl 2-O-(2-morpholin-4-yl-2-oxoethyl) 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 17446674
4-O-methyl 2-O-[2-oxo-2-(prop-2-ynylamino)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 34966093
methyl 5-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 51315314
2-O-[[5-amino-2,4-bis(methoxycarbonyl)thiophen-3-yl]methyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 30208469
methyl 2-ethyl-4-methyl-5-(3-morpholin-4-ylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 35070861
methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 26958553
methyl 2-ethyl-4-methyl-5-[(4-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 35029418

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid (CID 2446824) is 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid is CCc1[nH]c(C(=O)O)c(C)c1C(=O)OC.
What is the InChIKey of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is USHDUEUJFBPDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-6-7(10(14)15-3)5(2)8(11-6)9(12)13/h11H,4H2,1-3H3,(H,12,13).
What are the key properties of 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid?
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 2446824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).