2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid

C13H15F3N2O2 — CID 107142631

IUPAC2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCc2ccccc2C(F)(F)F)CNC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)6-18-12(5-11(19)20)7-17-8-12/h1-4,17-18H,5-8H2,(H,19,20)
InChIKeyGVQIQHQCVLBHCN-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.61
Rot. Bonds5

About 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid

2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid (PubChem CID 107142631) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid
PubChem CID107142631
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCc2ccccc2C(F)(F)F)CNC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)6-18-12(5-11(19)20)7-17-8-12/h1-4,17-18H,5-8H2,(H,19,20)
InChIKeyGVQIQHQCVLBHCN-UHFFFAOYSA-N
XLogP1.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic 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

2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid
CID 64702163
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid
CID 107142876
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
1-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75483399
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
(5R)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]cyclopropyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 144745345

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid (CID 107142631) is 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid is O=C(O)CC1(NCc2ccccc2C(F)(F)F)CNC1.
What is the InChIKey of 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid?
The InChIKey is GVQIQHQCVLBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)6-18-12(5-11(19)20)7-17-8-12/h1-4,17-18H,5-8H2,(H,19,20).
What are the key properties of 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid?
2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid has a molecular weight of 288.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).