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

C11H12F3N3O2 — CID 64586239

IUPAC3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H12F3N3O2/c1-10(8(18)19)3-5-17(6-10)9-15-4-2-7(16-9)11(12,13)14/h2,4H,3,5-6H2,1H3,(H,18,19)
InChIKeyRSWZWCDFQMRAOG-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.80
Rot. Bonds2

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

3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 64586239) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID64586239
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H12F3N3O2/c1-10(8(18)19)3-5-17(6-10)9-15-4-2-7(16-9)11(12,13)14/h2,4H,3,5-6H2,1H3,(H,18,19)
InChIKeyRSWZWCDFQMRAOG-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (CID 64586239) is 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is RSWZWCDFQMRAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-10(8(18)19)3-5-17(6-10)9-15-4-2-7(16-9)11(12,13)14/h2,4H,3,5-6H2,1H3,(H,18,19).
What are the key properties of 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64586239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).