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

C15H16N2O4 — CID 82875992

IUPAC4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOCc1cccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)c1
InChIInChI=1S/C15H16N2O4/c1-9-13(15(19)20)12(7-16-9)17-14(18)11-5-3-4-10(6-11)8-21-2/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBEPFYCGNHSQGKU-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.42
Rot. Bonds5

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

4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82875992) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82875992
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCOCc1cccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)c1
InChIInChI=1S/C15H16N2O4/c1-9-13(15(19)20)12(7-16-9)17-14(18)11-5-3-4-10(6-11)8-21-2/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBEPFYCGNHSQGKU-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

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Related Compounds

4-[[2-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82876405
4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880268
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880507
5-[[3-(methoxymethyl)benzoyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43171275
N-(3-iodophenyl)-3-(methoxymethyl)benzamide
CID 7603133
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-[2,6-di(propan-2-yl)phenyl]-3-(methoxymethyl)benzamide
CID 8777185
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
CID 51200273
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(methoxymethyl)benzamide
CID 31618597

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82875992) is 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is COCc1cccc(C(=O)Nc2c[nH]c(C)c2C(=O)O)c1.
What is the InChIKey of 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is BEPFYCGNHSQGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-13(15(19)20)12(7-16-9)17-14(18)11-5-3-4-10(6-11)8-21-2/h3-7,16H,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[3-(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-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82875992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).