4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid

C16H16N2O3 — CID 114608562

IUPAC4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CCC2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(14-5-2-10-18(14)13-3-1-4-13)17-12-8-6-11(7-9-12)16(20)21/h2,5-10,13H,1,3-4H2,(H,17,19)(H,20,21)
InChIKeyNSOJUMHGGAPDTK-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.16
Rot. Bonds4

About 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid

4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 114608562) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID114608562
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CCC2)cc1
InChIInChI=1S/C16H16N2O3/c19-15(14-5-2-10-18(14)13-3-1-4-13)17-12-8-6-11(7-9-12)16(20)21/h2,5-10,13H,1,3-4H2,(H,17,19)(H,20,21)
InChIKeyNSOJUMHGGAPDTK-UHFFFAOYSA-N
XLogP3.16
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609165
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
CID 43639295
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43639320
N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610369

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid (CID 114608562) is 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cccn2C2CCC2)cc1.
What is the InChIKey of 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is NSOJUMHGGAPDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(14-5-2-10-18(14)13-3-1-4-13)17-12-8-6-11(7-9-12)16(20)21/h2,5-10,13H,1,3-4H2,(H,17,19)(H,20,21).
What are the key properties of 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid?
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114608562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).