1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid

C11H17NO4 — CID 103410362

IUPAC1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid
SMILESCOCCOCCCn1ccc(C(=O)O)c1
InChIInChI=1S/C11H17NO4/c1-15-7-8-16-6-2-4-12-5-3-10(9-12)11(13)14/h3,5,9H,2,4,6-8H2,1H3,(H,13,14)
InChIKeyVLSCRFFPXUYJOM-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.24
Rot. Bonds8

About 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid

1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid (PubChem CID 103410362) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid
PubChem CID103410362
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid
SMILESCOCCOCCCn1ccc(C(=O)O)c1
InChIInChI=1S/C11H17NO4/c1-15-7-8-16-6-2-4-12-5-3-10(9-12)11(13)14/h3,5,9H,2,4,6-8H2,1H3,(H,13,14)
InChIKeyVLSCRFFPXUYJOM-UHFFFAOYSA-N
XLogP1.24
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2-methoxyethoxy)propyl]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

cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone
CID 103411195
1-[1-(3-methoxypropyl)pyrrol-3-yl]-2-methylpropan-1-one
CID 79108839
1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
CID 113464125
1-propylpyrrole-3-carboxylic acid
CID 70182484
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 103411288
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 103411322
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 103411315
1-(3,3-dimethylbutyl)pyrrole-3-carboxylic acid
CID 79103695
methyl 1-tetradecylpyrrole-3-carboxylate
CID 155368040
1-cyclopropyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-N-methylmethanamine
CID 103411328
methyl 1-(4-methoxy-4-oxobutyl)pyrrole-3-carboxylate
CID 146261082

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid (CID 103410362) is 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid is COCCOCCCn1ccc(C(=O)O)c1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid?
The InChIKey is VLSCRFFPXUYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-15-7-8-16-6-2-4-12-5-3-10(9-12)11(13)14/h3,5,9H,2,4,6-8H2,1H3,(H,13,14).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid?
1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 103410362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).