4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid

C14H14N2O4 — CID 82880268

IUPAC4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)Cc2cccc(O)c2)c1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-8-13(14(19)20)11(7-15-8)16-12(18)6-9-3-2-4-10(17)5-9/h2-5,7,15,17H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyZNLUFXIIGPAZID-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.91
Rot. Bonds4

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

4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82880268) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82880268
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NC(=O)Cc2cccc(O)c2)c1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-8-13(14(19)20)11(7-15-8)16-12(18)6-9-3-2-4-10(17)5-9/h2-5,7,15,17H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyZNLUFXIIGPAZID-UHFFFAOYSA-N
XLogP1.91
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[[2-(4-methylphenyl)acetyl]amino]-1H-pyrrole-3-carboxylic acid
CID 82880342
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877305
2-methyl-4-[(2-pyridin-3-ylacetyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82881481
4-[[2-(2-chlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881248
N-(4-hydroxy-2,5-dimethylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 106834834
2-(3-hydroxyphenyl)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043394
4-[(2,6-dichlorobenzoyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881245
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877147
2-(3-hydroxyphenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 61399936
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-(3-hydroxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 61399458
N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 86865777

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82880268) is 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NC(=O)Cc2cccc(O)c2)c1C(=O)O.
What is the InChIKey of 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is ZNLUFXIIGPAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-13(14(19)20)11(7-15-8)16-12(18)6-9-3-2-4-10(17)5-9/h2-5,7,15,17H,6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82880268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).