methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate

C13H14F3NO3 — CID 60700981

IUPACmethyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c1-8(12(19)20-2)17-11(18)7-9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyGYKIGEVXNJHJRY-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate

methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate (PubChem CID 60700981) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
PubChem CID60700981
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c1-8(12(19)20-2)17-11(18)7-9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyGYKIGEVXNJHJRY-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
methyl 2-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 59786000
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65191111
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 76935917
N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79673463
2-phenyl-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]acetamide
CID 51315384
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
[4-(trifluoromethyl)phenyl]methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 42921228
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
3-(methylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 116564980

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate (CID 60700981) is methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate?
The InChIKey is GYKIGEVXNJHJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-8(12(19)20-2)17-11(18)7-9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate?
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate has a molecular weight of 289.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate is sourced from PubChem (CID 60700981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).