2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid

C11H14F3N3O2 — CID 64585843

IUPAC2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESCCCC(C)(Nc1nccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-3-5-10(2,8(18)19)17-9-15-6-4-7(16-9)11(12,13)14/h4,6H,3,5H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyGCUUZHPMFPFCBI-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.55
Rot. Bonds5

About 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid

2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid (PubChem CID 64585843) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
PubChem CID64585843
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
SMILESCCCC(C)(Nc1nccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-3-5-10(2,8(18)19)17-9-15-6-4-7(16-9)11(12,13)14/h4,6H,3,5H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyGCUUZHPMFPFCBI-UHFFFAOYSA-N
XLogP2.55
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid (CID 64585843) is 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid is CCCC(C)(Nc1nccc(C(F)(F)F)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
The InChIKey is GCUUZHPMFPFCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-3-5-10(2,8(18)19)17-9-15-6-4-7(16-9)11(12,13)14/h4,6H,3,5H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid?
2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid has a molecular weight of 277.25 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid is sourced from PubChem (CID 64585843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).