2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

C10H11F3N2O2 — CID 61266117

IUPAC2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(C)(Nc1ncccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-9(2,8(16)17)15-7-6(10(11,12)13)4-3-5-14-7/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyLFJJMIBFQIFGLH-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.38
Rot. Bonds3

About 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid

2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (PubChem CID 61266117) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
PubChem CID61266117
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
SMILESCC(C)(Nc1ncccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-9(2,8(16)17)15-7-6(10(11,12)13)4-3-5-14-7/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyLFJJMIBFQIFGLH-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3-trimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 65266327
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
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 66177550
6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107302474
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 107867364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid (CID 61266117) is 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is CC(C)(Nc1ncccc1C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is LFJJMIBFQIFGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-9(2,8(16)17)15-7-6(10(11,12)13)4-3-5-14-7/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid?
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 61266117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).