2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid

C12H12F3NO3 — CID 119346109

IUPAC2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-16(7-11(18)19)10(17)6-8-4-2-3-5-9(8)12(13,14)15/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyCKIJJLGLVCFFCD-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.79
Rot. Bonds4

About 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid

2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid (PubChem CID 119346109) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
PubChem CID119346109
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H12F3NO3/c1-16(7-11(18)19)10(17)6-8-4-2-3-5-9(8)12(13,14)15/h2-5H,6-7H2,1H3,(H,18,19)
InChIKeyCKIJJLGLVCFFCD-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
2-[[(4R)-4-hydroxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-methylamino]acetic acid
CID 128993026
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
3-benzyl-1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 24664938
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
2-[2-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]acetic acid
CID 115042618
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
CID 82484267
2-[methyl-(2-naphthalen-2-ylacetyl)amino]acetic acid
CID 18071237

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid (CID 119346109) is 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
The InChIKey is CKIJJLGLVCFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-16(7-11(18)19)10(17)6-8-4-2-3-5-9(8)12(13,14)15/h2-5H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid?
2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid has a molecular weight of 275.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119346109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).