1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C11H11F3N4O3 — CID 63708705

IUPAC1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1ncccn1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)10(7(19)20)2-5-18(6-10)9(21)17-8-15-3-1-4-16-8/h1,3-4H,2,5-6H2,(H,19,20)(H,15,16,17,21)
InChIKeyJQAGELYDQQDGAF-UHFFFAOYSA-N
MW304.23 g/mol
LogP1.35
Rot. Bonds2

About 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708705) has the molecular formula C11H11F3N4O3 and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708705
Molecular FormulaC11H11F3N4O3
Molecular Weight304.23 g/mol
Exact Mass304.08
IUPAC Name1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(Nc1ncccn1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C11H11F3N4O3/c12-11(13,14)10(7(19)20)2-5-18(6-10)9(21)17-8-15-3-1-4-16-8/h1,3-4H,2,5-6H2,(H,19,20)(H,15,16,17,21)
InChIKeyJQAGELYDQQDGAF-UHFFFAOYSA-N
XLogP1.35
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708705) is 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(Nc1ncccn1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JQAGELYDQQDGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O3/c12-11(13,14)10(7(19)20)2-5-18(6-10)9(21)17-8-15-3-1-4-16-8/h1,3-4H,2,5-6H2,(H,19,20)(H,15,16,17,21).
What are the key properties of 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 304.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).