2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid

C25H29NO5 — CID 10202535

IUPAC2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(C)ccc2-c2cccc(OC)c2)cc1)C(=O)O
InChIInChI=1S/C25H29NO5/c1-4-30-24(25(27)28)16-19-9-11-21(12-10-19)31-15-14-26-18(2)8-13-23(26)20-6-5-7-22(17-20)29-3/h5-13,17,24H,4,14-16H2,1-3H3,(H,27,28)
InChIKeyXORAGNZHECJGBV-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.58
Rot. Bonds11

About 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid

2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (PubChem CID 10202535) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
PubChem CID10202535
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCn2c(C)ccc2-c2cccc(OC)c2)cc1)C(=O)O
InChIInChI=1S/C25H29NO5/c1-4-30-24(25(27)28)16-19-9-11-21(12-10-19)31-15-14-26-18(2)8-13-23(26)20-6-5-7-22(17-20)29-3/h5-13,17,24H,4,14-16H2,1-3H3,(H,27,28)
InChIKeyXORAGNZHECJGBV-UHFFFAOYSA-N
XLogP4.58
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

Saroglitazar
CID 60151560
(S)-3-(4-(2-Carbazol-9-Yl-Ethoxy)-Phenyl)-2-Ethoxy-Propionic Acid
CID 446758
Pyrrole-derivative1
CID 21101227
3-{4-[2-(3-Bromo-carbazol-9-yl)-ethoxy]-phenyl}-2-ethoxy-propionic acid
CID 10896153
3-[3,5-Difluoro-4-[[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
CID 90406575
3-(4-{[1-(4-Ethylphenyl)-1H-pyrrol-2-yl]methoxy}-2,3-dimethylphenyl)propanoic acid
CID 90407037
3-[5-(4-Methoxyphenyl)-1-propyl-2-pyrrolyl]propanoic acid
CID 893444
3-[5-(4-Methoxyphenyl)-1-prop-2-enyl-2-pyrrolyl]propanoic acid
CID 893702
3-[1-isopropyl-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanoic acid
CID 894399
Ethyl 3-[1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoate
CID 70685293
3-[1-(2-methoxyphenyl)-5-phenyl-1H-pyrrol-2-yl]propanoic acid
CID 708059
1H-Pyrrole-2-propanoic acid, 1-(2-methoxyphenyl)-5-(4-methoxyphenyl)-
CID 18469

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid (CID 10202535) is 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCCn2c(C)ccc2-c2cccc(OC)c2)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
The InChIKey is XORAGNZHECJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-4-30-24(25(27)28)16-19-9-11-21(12-10-19)31-15-14-26-18(2)8-13-23(26)20-6-5-7-22(17-20)29-3/h5-13,17,24H,4,14-16H2,1-3H3,(H,27,28).
What are the key properties of 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid has a molecular weight of 423.51 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-[2-(3-methoxyphenyl)-5-methylpyrrol-1-yl]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 10202535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).