1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid

C15H16N2O3 — CID 79325397

IUPAC1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10-5-3-6-11(2)14(10)16-13(18)9-17-8-4-7-12(17)15(19)20/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDPZDKJDOXOXTTR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79325397) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79325397
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10-5-3-6-11(2)14(10)16-13(18)9-17-8-4-7-12(17)15(19)20/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDPZDKJDOXOXTTR-UHFFFAOYSA-N
XLogP2.44
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323747
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325428
1-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 83170239
1-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107602542
N-(2,6-dimethylphenyl)-2-(2-oxo-3-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53161868
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502091
1-[2-oxo-2-(2,4,5-trifluoroanilino)ethyl]pyrrole-2-carboxylic acid
CID 79324400
3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358338
N-(2,6-dimethylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354354
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114176556
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323926
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79325397) is 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid is Cc1cccc(C)c1NC(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is DPZDKJDOXOXTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-5-3-6-11(2)14(10)16-13(18)9-17-8-4-7-12(17)15(19)20/h3-8H,9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79325397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).