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

C10H11F3N4O2 — CID 154499543

IUPAC3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-14-8(16-7)15-6-2-4-17(5-6)9(18)19/h1,3,6H,2,4-5H2,(H,18,19)(H,14,15,16)
InChIKeyFKBGELFPJSBXLK-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.66
Rot. Bonds2

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

3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid (PubChem CID 154499543) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid
PubChem CID154499543
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-14-8(16-7)15-6-2-4-17(5-6)9(18)19/h1,3,6H,2,4-5H2,(H,18,19)(H,14,15,16)
InChIKeyFKBGELFPJSBXLK-UHFFFAOYSA-N
XLogP1.66
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid (CID 154499543) is 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(Nc2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid?
The InChIKey is FKBGELFPJSBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-3-14-8(16-7)15-6-2-4-17(5-6)9(18)19/h1,3,6H,2,4-5H2,(H,18,19)(H,14,15,16).
What are the key properties of 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid?
3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid has a molecular weight of 276.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154499543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).