2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid

C16H16N2O3 — CID 43639305

IUPAC2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cccn2C2CC2)c(C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-10-4-7-13(12(9-10)16(20)21)17-15(19)14-3-2-8-18(14)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyTUDXZSHQFXWTKA-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.08
Rot. Bonds4

About 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid

2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid (PubChem CID 43639305) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
PubChem CID43639305
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2cccn2C2CC2)c(C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-10-4-7-13(12(9-10)16(20)21)17-15(19)14-3-2-8-18(14)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyTUDXZSHQFXWTKA-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 62535726
N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 107301072
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
1-cyclopropyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61131105
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid (CID 43639305) is 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)c2cccn2C2CC2)c(C(=O)O)c1.
What is the InChIKey of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid?
The InChIKey is TUDXZSHQFXWTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-4-7-13(12(9-10)16(20)21)17-15(19)14-3-2-8-18(14)11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid?
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid has a molecular weight of 284.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 43639305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).