2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid

C11H12F3N3O2 — CID 79371891

IUPAC2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O2/c1-6-7(9(18)19)3-5-17(6)10-15-4-2-8(16-10)11(12,13)14/h2,4,6-7H,3,5H2,1H3,(H,18,19)
InChIKeyAOHCYYLPXCKMQD-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid

2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 79371891) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID79371891
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N3O2/c1-6-7(9(18)19)3-5-17(6)10-15-4-2-8(16-10)11(12,13)14/h2,4,6-7H,3,5H2,1H3,(H,18,19)
InChIKeyAOHCYYLPXCKMQD-UHFFFAOYSA-N
XLogP1.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]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 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (CID 79371891) is 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is AOHCYYLPXCKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-6-7(9(18)19)3-5-17(6)10-15-4-2-8(16-10)11(12,13)14/h2,4,6-7H,3,5H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79371891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).