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

C15H16N2O4 — CID 82876118

IUPAC2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
SMILESCc1ccccc1OCC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-5-3-4-6-12(9)21-8-13(18)17-11-7-16-10(2)14(11)15(19)20/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRYKOVWWZVVTKRQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.35
Rot. Bonds5

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

2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid (PubChem CID 82876118) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
PubChem CID82876118
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid
SMILESCc1ccccc1OCC(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-5-3-4-6-12(9)21-8-13(18)17-11-7-16-10(2)14(11)15(19)20/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRYKOVWWZVVTKRQ-UHFFFAOYSA-N
XLogP2.35
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-hydroxyphenoxy)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82875969
2-methyl-4-(3-phenoxypropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82877789
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
N-butan-2-yl-2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 17151196
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
N-(2-ethyl-4-iodophenyl)-2-(2-methylphenoxy)acetamide
CID 1421738
methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate
CID 19342293
2-methyl-4-(3-phenylprop-2-ynoylamino)-1H-pyrrole-3-carboxylic acid
CID 82881147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid (CID 82876118) is 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid is Cc1ccccc1OCC(=O)Nc1c[nH]c(C)c1C(=O)O.
What is the InChIKey of 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
The InChIKey is RYKOVWWZVVTKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-5-3-4-6-12(9)21-8-13(18)17-11-7-16-10(2)14(11)15(19)20/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid?
2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82876118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).