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

C15H14N2O3 — CID 43639269

IUPAC4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CC2)cc1
InChIInChI=1S/C15H14N2O3/c18-14(13-2-1-9-17(13)12-7-8-12)16-11-5-3-10(4-6-11)15(19)20/h1-6,9,12H,7-8H2,(H,16,18)(H,19,20)
InChIKeyCZOYNQMOLQPIKG-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.77
Rot. Bonds4

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

4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 43639269) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID43639269
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cccn2C2CC2)cc1
InChIInChI=1S/C15H14N2O3/c18-14(13-2-1-9-17(13)12-7-8-12)16-11-5-3-10(4-6-11)15(19)20/h1-6,9,12H,7-8H2,(H,16,18)(H,19,20)
InChIKeyCZOYNQMOLQPIKG-UHFFFAOYSA-N
XLogP2.77
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
CID 43639295
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
5-[(1-cyclobutylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114609051
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43639320
N-(4-amino-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 61240041
1-piperidin-4-yl-N-(4-pyrazol-1-ylphenyl)pyrrole-2-carboxamide
CID 86770861
N-(4-bromo-3-methylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609165

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid (CID 43639269) is 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cccn2C2CC2)cc1.
What is the InChIKey of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is CZOYNQMOLQPIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(13-2-1-9-17(13)12-7-8-12)16-11-5-3-10(4-6-11)15(19)20/h1-6,9,12H,7-8H2,(H,16,18)(H,19,20).
What are the key properties of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid?
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43639269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).