3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid

C22H22N2O4 — CID 44623948

IUPAC3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid
SMILESCOc1ccc(-c2ccn(CCC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1
InChIInChI=1S/C22H22N2O4/c1-14-13-16(22(23)27)5-8-18(14)21-19(9-11-24(21)12-10-20(25)26)15-3-6-17(28-2)7-4-15/h3-9,11,13H,10,12H2,1-2H3,(H2,23,27)(H,25,26)
InChIKeySEPIJZRROUMHPM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.71
Rot. Bonds7

About 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid

3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid (PubChem CID 44623948) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid
PubChem CID44623948
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid
SMILESCOc1ccc(-c2ccn(CCC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1
InChIInChI=1S/C22H22N2O4/c1-14-13-16(22(23)27)5-8-18(14)21-19(9-11-24(21)12-10-20(25)26)15-3-6-17(28-2)7-4-15/h3-9,11,13H,10,12H2,1-2H3,(H2,23,27)(H,25,26)
InChIKeySEPIJZRROUMHPM-UHFFFAOYSA-N
XLogP3.71
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid (CID 44623948) is 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid is COc1ccc(-c2ccn(CCC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1.
What is the InChIKey of 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid?
The InChIKey is SEPIJZRROUMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-13-16(22(23)27)5-8-18(14)21-19(9-11-24(21)12-10-20(25)26)15-3-6-17(28-2)7-4-15/h3-9,11,13H,10,12H2,1-2H3,(H2,23,27)(H,25,26).
What are the key properties of 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid?
3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid has a molecular weight of 378.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-carbamoyl-2-methylphenyl)-3-(4-methoxyphenyl)pyrrol-1-yl]propanoic acid is sourced from PubChem (CID 44623948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).