2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid

C13H24F3NO2 — CID 89301302

IUPAC2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid
SMILESCC(C)(CC(C)(C)C(=O)O)NCC(C)(C)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-10(2,9(18)19)7-12(5,6)17-8-11(3,4)13(14,15)16/h17H,7-8H2,1-6H3,(H,18,19)
InChIKeyKLJKOFJNRGLDHD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.44
Rot. Bonds6

About 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid

2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid (PubChem CID 89301302) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid
PubChem CID89301302
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid
SMILESCC(C)(CC(C)(C)C(=O)O)NCC(C)(C)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-10(2,9(18)19)7-12(5,6)17-8-11(3,4)13(14,15)16/h17H,7-8H2,1-6H3,(H,18,19)
InChIKeyKLJKOFJNRGLDHD-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic 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 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid?
The IUPAC name of 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid (CID 89301302) is 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid.
What is the SMILES notation for 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid?
The canonical SMILES for 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid is CC(C)(CC(C)(C)C(=O)O)NCC(C)(C)C(F)(F)F.
What is the InChIKey of 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid?
The InChIKey is KLJKOFJNRGLDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-10(2,9(18)19)7-12(5,6)17-8-11(3,4)13(14,15)16/h17H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid?
2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid is sourced from PubChem (CID 89301302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).