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

C12H19NO3 — CID 84755900

IUPAC1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)ccn1CCCO
InChIInChI=1S/C12H19NO3/c1-9(2)8-11-10(12(15)16)4-6-13(11)5-3-7-14/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,15,16)
InChIKeyNGWYZYZRVNJBIE-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.77
Rot. Bonds6

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

1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid (PubChem CID 84755900) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
PubChem CID84755900
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
SMILESCC(C)Cc1c(C(=O)O)ccn1CCCO
InChIInChI=1S/C12H19NO3/c1-9(2)8-11-10(12(15)16)4-6-13(11)5-3-7-14/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,15,16)
InChIKeyNGWYZYZRVNJBIE-UHFFFAOYSA-N
XLogP1.77
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-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

Related Compounds

1-(4-amino-4-oxobutyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755912
1-ethyl-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755886
1-[2-(dimethylamino)ethyl]-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755901
2-(2-methylpropyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxylic acid
CID 84755902
1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755889
1-(3-hydroxypropyl)-2-pentan-3-ylpyrrole-3-carboxylic acid
CID 84756015
1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid
CID 84756236
2-ethyl-1-pentylpyrrole-3-carboxylic acid
CID 84618050
1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
CID 22498647
1-(3-carboxypropyl)-2-propan-2-ylpyrrole-3-carboxylic acid
CID 84756081
2-methyl-1-pentylpyrrole-3-carboxylic acid
CID 84618035
1-[2-(dimethylamino)ethyl]-2-ethylpyrrole-3-carboxylic acid
CID 84755783

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid (CID 84755900) is 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid is CC(C)Cc1c(C(=O)O)ccn1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
The InChIKey is NGWYZYZRVNJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(2)8-11-10(12(15)16)4-6-13(11)5-3-7-14/h4,6,9,14H,3,5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid?
1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 84755900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).