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

C12H15F3N2O2 — CID 66328053

IUPAC4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
SMILESCC(C)CC(Nc1cc(C(F)(F)F)ccn1)C(=O)O
InChIInChI=1S/C12H15F3N2O2/c1-7(2)5-9(11(18)19)17-10-6-8(3-4-16-10)12(13,14)15/h3-4,6-7,9H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVPHRFNQGQOOYMZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.01
Rot. Bonds5

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

4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid (PubChem CID 66328053) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
PubChem CID66328053
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
SMILESCC(C)CC(Nc1cc(C(F)(F)F)ccn1)C(=O)O
InChIInChI=1S/C12H15F3N2O2/c1-7(2)5-9(11(18)19)17-10-6-8(3-4-16-10)12(13,14)15/h3-4,6-7,9H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyVPHRFNQGQOOYMZ-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]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

Related Compounds

4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 66328480
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
3-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]butanamide
CID 114176396
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
(2R)-4-methyl-2-[(2-methyl-4-pyridinyl)amino]pentanoic acid
CID 120964135
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
CID 122049144
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid (CID 66328053) is 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid is CC(C)CC(Nc1cc(C(F)(F)F)ccn1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid?
The InChIKey is VPHRFNQGQOOYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7(2)5-9(11(18)19)17-10-6-8(3-4-16-10)12(13,14)15/h3-4,6-7,9H,5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid?
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid has a molecular weight of 276.26 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 66328053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).