2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid

C19H21FN2O3 — CID 119217378

IUPAC2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-12-10-16(13(2)22(12)15-6-4-14(20)5-7-15)18(25)21-19(8-3-9-19)11-17(23)24/h4-7,10H,3,8-9,11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyOCSBIBBRURHRIK-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.36
Rot. Bonds5

About 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 119217378) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID119217378
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-12-10-16(13(2)22(12)15-6-4-14(20)5-7-15)18(25)21-19(8-3-9-19)11-17(23)24/h4-7,10H,3,8-9,11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyOCSBIBBRURHRIK-UHFFFAOYSA-N
XLogP3.36
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)amino]cyclobutyl]acetic acid
CID 75429183
1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
CID 103790762
5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]pentanoic acid
CID 119234411
N-[(2R)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003403
N-[(2S)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003402
1-(4-fluorophenyl)-2,5-dimethyl-N-[3-(methylamino)propyl]pyrrole-3-carboxamide;hydrochloride
CID 119432577
1-(4-fluorophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide;hydrochloride
CID 119502796
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(methylamino)ethanone
CID 53355375
N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 25329739
2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217584
2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217136

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid (CID 119217378) is 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid is Cc1cc(C(=O)NC2(CC(=O)O)CCC2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is OCSBIBBRURHRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12-10-16(13(2)22(12)15-6-4-14(20)5-7-15)18(25)21-19(8-3-9-19)11-17(23)24/h4-7,10H,3,8-9,11H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 344.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).