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

C15H17NO4 — CID 84756236

IUPAC1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCCO)c1COc1ccccc1
InChIInChI=1S/C15H17NO4/c17-10-4-8-16-9-7-13(15(18)19)14(16)11-20-12-5-2-1-3-6-12/h1-3,5-7,9,17H,4,8,10-11H2,(H,18,19)
InChIKeyADLGPRFOROVLEJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.15
Rot. Bonds7

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

1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid (PubChem CID 84756236) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid
PubChem CID84756236
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(CCCO)c1COc1ccccc1
InChIInChI=1S/C15H17NO4/c17-10-4-8-16-9-7-13(15(18)19)14(16)11-20-12-5-2-1-3-6-12/h1-3,5-7,9,17H,4,8,10-11H2,(H,18,19)
InChIKeyADLGPRFOROVLEJ-UHFFFAOYSA-N
XLogP2.15
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxypropyl)-2-(phenoxymethyl)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

2-(phenoxymethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756223
1-(2-carboxyethyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid
CID 84756231
1-(3-hydroxypropyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755900
1-(1-carboxyethyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid
CID 84756221
1-(3-phenoxypropyl)pyrrole-2-carboxylic acid
CID 62381154
1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
CID 22498647
2-ethyl-1-pentylpyrrole-3-carboxylic acid
CID 84618050
1-(3-hydroxypropyl)-2-pentan-3-ylpyrrole-3-carboxylic acid
CID 84756015
1-(3-ethoxy-3-oxopropyl)-2-(methoxymethyl)pyrrole-3-carboxylic acid
CID 84756125
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
2-(2-phenylethyl)-1-propylpyrrole-3-carboxylic acid
CID 84756196
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid (CID 84756236) is 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid is O=C(O)c1ccn(CCCO)c1COc1ccccc1.
What is the InChIKey of 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid?
The InChIKey is ADLGPRFOROVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c17-10-4-8-16-9-7-13(15(18)19)14(16)11-20-12-5-2-1-3-6-12/h1-3,5-7,9,17H,4,8,10-11H2,(H,18,19).
What are the key properties of 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid?
1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2-(phenoxymethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 84756236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).