2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid

C12H22F3NO2 — CID 55055457

IUPAC2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(CCC)C(=O)O
InChIInChI=1S/C12H22F3NO2/c1-4-6-11(3,10(17)18)8-16(7-5-2)9-12(13,14)15/h4-9H2,1-3H3,(H,17,18)
InChIKeyIDEFJJZNBBJHKU-UHFFFAOYSA-N
MW269.31 g/mol
LogP3.15
Rot. Bonds8

About 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid

2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid (PubChem CID 55055457) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
PubChem CID55055457
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid
SMILESCCCN(CC(F)(F)F)CC(C)(CCC)C(=O)O
InChIInChI=1S/C12H22F3NO2/c1-4-6-11(3,10(17)18)8-16(7-5-2)9-12(13,14)15/h4-9H2,1-3H3,(H,17,18)
InChIKeyIDEFJJZNBBJHKU-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]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-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid (CID 55055457) is 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid is CCCN(CC(F)(F)F)CC(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid?
The InChIKey is IDEFJJZNBBJHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-4-6-11(3,10(17)18)8-16(7-5-2)9-12(13,14)15/h4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid?
2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid has a molecular weight of 269.31 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 55055457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).