4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C15H16N2O4 — CID 82876405

IUPAC4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOCc1ccccc1C(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-13(15(19)20)12(7-16-9)17-14(18)11-6-4-3-5-10(11)8-21-2/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPESVAIFGTWKDQZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.42
Rot. Bonds5

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

4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82876405) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82876405
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOCc1ccccc1C(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-9-13(15(19)20)12(7-16-9)17-14(18)11-6-4-3-5-10(11)8-21-2/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPESVAIFGTWKDQZ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-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

4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881248
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]benzamide
CID 62178678
2-methyl-4-(3-phenylprop-2-ynoylamino)-1H-pyrrole-3-carboxylic acid
CID 82881147
4-[(2-hydroxy-5-iodobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107731449
ethyl 4-[(2-bromobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylate
CID 82876245
2-methyl-4-(3-phenoxypropanoylamino)-1H-pyrrole-3-carboxylic acid
CID 82877789
N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63998640
6-[[2-(methoxymethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 61317359
3-(methoxymethyl)-2-methyl-N-phenylbenzamide
CID 151203902
2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880507

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82876405) is 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is COCc1ccccc1C(=O)Nc1c[nH]c(C)c1C(=O)O.
What is the InChIKey of 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is PESVAIFGTWKDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-13(15(19)20)12(7-16-9)17-14(18)11-6-4-3-5-10(11)8-21-2/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82876405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).