1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid

C11H17NO3 — CID 84755889

IUPAC1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
SMILESCOCn1ccc(C(=O)O)c1CC(C)C
InChIInChI=1S/C11H17NO3/c1-8(2)6-10-9(11(13)14)4-5-12(10)7-15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyCAUQEMKUYTUOPT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.99
Rot. Bonds5

About 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid

1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid (PubChem CID 84755889) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
PubChem CID84755889
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
SMILESCOCn1ccc(C(=O)O)c1CC(C)C
InChIInChI=1S/C11H17NO3/c1-8(2)6-10-9(11(13)14)4-5-12(10)7-15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyCAUQEMKUYTUOPT-UHFFFAOYSA-N
XLogP1.99
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755886
1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755900
1-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755901
1-(4-amino-4-oxobutyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755912
2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid
CID 84755902
2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid
CID 84755952
1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone
CID 84614753
2-(methoxymethyl)-1-[2-(methylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 84756136
1-(3-ethoxy-3-oxopropyl)-2-(methoxymethyl)pyrrole-3-carboxylic acid
CID 84756125
1-(carboxymethyl)-2-ethylpyrrole-3-carboxylic acid
CID 84755749
2-(phenoxymethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756223
2-ethyl-1-pentylpyrrole-3-carboxylic acid
CID 84618050

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid (CID 84755889) is 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid is COCn1ccc(C(=O)O)c1CC(C)C.
What is the InChIKey of 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The InChIKey is CAUQEMKUYTUOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(2)6-10-9(11(13)14)4-5-12(10)7-15-3/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 84755889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).