2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

C14H14N2O3 — CID 79325224

IUPAC2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCc1ccc(NC(=O)c2cccn2CC(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-10-4-6-11(7-5-10)15-14(19)12-3-2-8-16(12)9-13(17)18/h2-8H,9H2,1H3,(H,15,19)(H,17,18)
InChIKeySXRFMTWDLAUCTB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 79325224) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID79325224
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCc1ccc(NC(=O)c2cccn2CC(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-10-4-6-11(7-5-10)15-14(19)12-3-2-8-16(12)9-13(17)18/h2-8H,9H2,1H3,(H,15,19)(H,17,18)
InChIKeySXRFMTWDLAUCTB-UHFFFAOYSA-N
XLogP2.13
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005
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
2-[2-[(2,4,6-trimethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79321753
2-[2-[(3-bromo-4-fluorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104780407
2-[2-(pyridin-3-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79325142
2-[2-[(3-chlorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325438
2-[2-[(2,6-dibromophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107602497
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
2-[2-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 83170475
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79322066
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 79325224) is 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is Cc1ccc(NC(=O)c2cccn2CC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is SXRFMTWDLAUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10-4-6-11(7-5-10)15-14(19)12-3-2-8-16(12)9-13(17)18/h2-8H,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79325224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).