2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid

C20H21F3N2O3 — CID 144899472

IUPAC2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid
SMILESCC(Cc1cccc(OCC2CN(c3ncccc3C(F)(F)F)C2)c1)C(=O)O
InChIInChI=1S/C20H21F3N2O3/c1-13(19(26)27)8-14-4-2-5-16(9-14)28-12-15-10-25(11-15)18-17(20(21,22)23)6-3-7-24-18/h2-7,9,13,15H,8,10-12H2,1H3,(H,26,27)
InChIKeyPNOOQPWQBYNYAF-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.88
Rot. Bonds7

About 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid

2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid (PubChem CID 144899472) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid
PubChem CID144899472
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid
SMILESCC(Cc1cccc(OCC2CN(c3ncccc3C(F)(F)F)C2)c1)C(=O)O
InChIInChI=1S/C20H21F3N2O3/c1-13(19(26)27)8-14-4-2-5-16(9-14)28-12-15-10-25(11-15)18-17(20(21,22)23)6-3-7-24-18/h2-7,9,13,15H,8,10-12H2,1H3,(H,26,27)
InChIKeyPNOOQPWQBYNYAF-UHFFFAOYSA-N
XLogP3.88
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid with MolForge

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Related Compounds

cyclopropane;2-methyl-3-[3-[(3-phenoxycyclobutyl)methoxy]phenyl]propanoic acid
CID 144899368
cyclopropane;2-methyl-3-[3-[[3-(2-methylpyrazol-3-yl)oxycyclobutyl]methoxy]phenyl]propanoic acid
CID 144899381
3-[3-[1-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]azetidin-3-yl]ethoxy]phenyl]-2-methylpropanoic acid
CID 144899258
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
2-methyl-3-[3-[[3-(2-propan-2-yloxyphenoxy)cyclobutyl]methoxy]phenyl]propanoic acid
CID 144899336
3-[3-[[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-3-fluoroazetidin-3-yl]methoxy]phenyl]-2-methylpropanoic acid;cyclopropane
CID 144899232
cyclopropane;3-[3-[[3-(2-methoxyphenoxy)cyclobutyl]methoxy]phenyl]-2-methylpropanoic acid
CID 144899354
CID 67530586
CID 67530586
(3S,4S)-4-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 122063982
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2S)-3-[3-[[(1S,2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]cyclopropyl]methoxy]phenyl]-2-methylpropanoic acid
CID 162617632
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid (CID 144899472) is 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid is CC(Cc1cccc(OCC2CN(c3ncccc3C(F)(F)F)C2)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid?
The InChIKey is PNOOQPWQBYNYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-13(19(26)27)8-14-4-2-5-16(9-14)28-12-15-10-25(11-15)18-17(20(21,22)23)6-3-7-24-18/h2-7,9,13,15H,8,10-12H2,1H3,(H,26,27).
What are the key properties of 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid?
2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid has a molecular weight of 394.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 144899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).