2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

C16H18N2O3 — CID 79321753

IUPAC2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCc1cc(C)c(NC(=O)c2cccn2CC(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-11(2)15(12(3)8-10)17-16(21)13-5-4-6-18(13)9-14(19)20/h4-8H,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOZEZTSAAUBGXIG-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.75
Rot. Bonds4

About 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79321753) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79321753
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCc1cc(C)c(NC(=O)c2cccn2CC(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-10-7-11(2)15(12(3)8-10)17-16(21)13-5-4-6-18(13)9-14(19)20/h4-8H,9H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOZEZTSAAUBGXIG-UHFFFAOYSA-N
XLogP2.75
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224
2-[2-[(2,6-dibromophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107602497
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
2-[2-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 83170475
2-[2-[(4-methylsulfanylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325577
2-[2-[[4-(dimethylamino)phenyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79321914
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142
N-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 110858233
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79322066
2-[2-(piperidin-1-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 83022515
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79321753) is 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is Cc1cc(C)c(NC(=O)c2cccn2CC(=O)O)c(C)c1.
What is the InChIKey of 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is OZEZTSAAUBGXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-7-11(2)15(12(3)8-10)17-16(21)13-5-4-6-18(13)9-14(19)20/h4-8H,9H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79321753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).