2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid

C13H17F3N2O2 — CID 65266327

IUPAC2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCC(C)(Nc1ncccc1C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-11(2,10(19)20)12(3,4)18-9-8(13(14,15)16)6-5-7-17-9/h5-7H,1-4H3,(H,17,18)(H,19,20)
InChIKeyZGIJTLWCKVFACQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.40
Rot. Bonds4

About 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid

2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (PubChem CID 65266327) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
PubChem CID65266327
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCC(C)(Nc1ncccc1C(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C13H17F3N2O2/c1-11(2,10(19)20)12(3,4)18-9-8(13(14,15)16)6-5-7-17-9/h5-7H,1-4H3,(H,17,18)(H,19,20)
InChIKeyZGIJTLWCKVFACQ-UHFFFAOYSA-N
XLogP3.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
N-(2-methyl-2-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63541640
2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
CID 114324570
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 66177550
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 107867364
2,4-dimethyl-1-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 66180973
4-[[3-(trifluoromethyl)-2-pyridinyl]amino]oxane-4-carboxylic acid
CID 115292205

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (CID 65266327) is 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is CC(C)(Nc1ncccc1C(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The InChIKey is ZGIJTLWCKVFACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-11(2,10(19)20)12(3,4)18-9-8(13(14,15)16)6-5-7-17-9/h5-7H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid has a molecular weight of 290.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is sourced from PubChem (CID 65266327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).