1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C18H25FN2O3 — CID 119258739

IUPAC1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)c(C)n1C1CCCCC1
InChIInChI=1S/C18H25FN2O3/c1-12-10-15(13(2)21(12)14-6-4-3-5-7-14)16(22)20-9-8-18(19,11-20)17(23)24/h10,14H,3-9,11H2,1-2H3,(H,23,24)
InChIKeyYIBUQTRSYFZPAG-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.25
Rot. Bonds3

About 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258739) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258739
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)c(C)n1C1CCCCC1
InChIInChI=1S/C18H25FN2O3/c1-12-10-15(13(2)21(12)14-6-4-3-5-7-14)16(22)20-9-8-18(19,11-20)17(23)24/h10,14H,3-9,11H2,1-2H3,(H,23,24)
InChIKeyYIBUQTRSYFZPAG-UHFFFAOYSA-N
XLogP3.25
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic 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

1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256719
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251307
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 120816019
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
(3aS,7aS)-2-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626992
[4-(1-aminoethyl)piperidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone;hydrochloride
CID 119518049
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methanone
CID 120819381
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methanone
CID 124611414
1-(2-chloro-4,5-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 120529626
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612764

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 119258739) is 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is Cc1cc(C(=O)N2CCC(F)(C(=O)O)C2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is YIBUQTRSYFZPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-12-10-15(13(2)21(12)14-6-4-3-5-7-14)16(22)20-9-8-18(19,11-20)17(23)24/h10,14H,3-9,11H2,1-2H3,(H,23,24).
What are the key properties of 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).