1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid

C15H16N2O4 — CID 102604500

IUPAC1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Cn1ccc(C)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-10-7-8-17(14(10)15(19)20)9-13(18)16-11-5-3-4-6-12(11)21-2/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKRJLHCHZQVRPQR-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid

1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid (PubChem CID 102604500) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid
PubChem CID102604500
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid
SMILESCOc1ccccc1NC(=O)Cn1ccc(C)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-10-7-8-17(14(10)15(19)20)9-13(18)16-11-5-3-4-6-12(11)21-2/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyKRJLHCHZQVRPQR-UHFFFAOYSA-N
XLogP2.14
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-hydroxyethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 79106416
2-(2,3-dioxo-4-phenylpyrazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 22520314
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 118727222
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755527
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
2-[3-(aminomethyl)pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 66408186
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid (CID 102604500) is 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid is COc1ccccc1NC(=O)Cn1ccc(C)c1C(=O)O.
What is the InChIKey of 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid?
The InChIKey is KRJLHCHZQVRPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-7-8-17(14(10)15(19)20)9-13(18)16-11-5-3-4-6-12(11)21-2/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid?
1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyanilino)-2-oxoethyl]-3-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 102604500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).