4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid

C16H16N2O3 — CID 43639295

IUPAC4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C16H16N2O3/c1-10-9-11(16(20)21)4-7-13(10)17-15(19)14-3-2-8-18(14)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyYBKCVJJZDBMMQR-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.08
Rot. Bonds4

About 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid

4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 43639295) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
PubChem CID43639295
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C16H16N2O3/c1-10-9-11(16(20)21)4-7-13(10)17-15(19)14-3-2-8-18(14)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,17,19)(H,20,21)
InChIKeyYBKCVJJZDBMMQR-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

4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
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
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
1-cyclopropyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61131105
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid (CID 43639295) is 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cccn1C1CC1.
What is the InChIKey of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is YBKCVJJZDBMMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-9-11(16(20)21)4-7-13(10)17-15(19)14-3-2-8-18(14)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid?
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-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 4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 43639295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).