1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid

C13H15F3N2O2 — CID 166288554

IUPAC1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCc2ccc(C(F)(F)F)nc2)CCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-2-9(7-18-10)6-17-8-12(11(19)20)4-1-5-12/h2-3,7,17H,1,4-6,8H2,(H,19,20)
InChIKeyBWFBTFUFAFQVKK-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.44
Rot. Bonds5

About 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid

1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 166288554) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID166288554
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCc2ccc(C(F)(F)F)nc2)CCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-2-9(7-18-10)6-17-8-12(11(19)20)4-1-5-12/h2-3,7,17H,1,4-6,8H2,(H,19,20)
InChIKeyBWFBTFUFAFQVKK-UHFFFAOYSA-N
XLogP2.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic 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

1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246507
1-[4-(trifluoromethyl)phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]methanamine
CID 169111944
4-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542668
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
4-benzyl-1-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 143992872
1-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158696
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
1,1-dideuterio-2,2-difluoro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]ethanamine
CID 175089211
1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 167987248
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 90261944
2-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbaldehyde
CID 58259308
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513

Frequently Asked Questions

What is the IUPAC name of 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid (CID 166288554) is 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNCc2ccc(C(F)(F)F)nc2)CCC1.
What is the InChIKey of 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is BWFBTFUFAFQVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-2-9(7-18-10)6-17-8-12(11(19)20)4-1-5-12/h2-3,7,17H,1,4-6,8H2,(H,19,20).
What are the key properties of 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 288.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166288554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).