2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid

C15H16N2O3 — CID 82880342

IUPAC2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
SMILESCc1ccc(CC(=O)Nc2c[nH]c(C)c2C(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c1-9-3-5-11(6-4-9)7-13(18)17-12-8-16-10(2)14(12)15(19)20/h3-6,8,16H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRLYKNJOPYOXYJT-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid

2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid (PubChem CID 82880342) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
PubChem CID82880342
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
SMILESCc1ccc(CC(=O)Nc2c[nH]c(C)c2C(=O)O)cc1
InChIInChI=1S/C15H16N2O3/c1-9-3-5-11(6-4-9)7-13(18)17-12-8-16-10(2)14(12)15(19)20/h3-6,8,16H,7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRLYKNJOPYOXYJT-UHFFFAOYSA-N
XLogP2.51
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877305
2-methyl-4-[(2-pyridin-3-ylacetyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881481
4-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880580
2-methyl-4-(nonanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82880759
2-methyl-4-(3-phenoxypropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82877789
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877147
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876405
N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881165

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid (CID 82880342) is 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid is Cc1ccc(CC(=O)Nc2c[nH]c(C)c2C(=O)O)cc1.
What is the InChIKey of 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The InChIKey is RLYKNJOPYOXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-3-5-11(6-4-9)7-13(18)17-12-8-16-10(2)14(12)15(19)20/h3-6,8,16H,7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).