[2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

C14H14F3NO3 — CID 2344633

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-9(6-10)7-13(20)21-8-12(19)18-11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,18,19)
InChIKeyCSDJPRUJRAUIOW-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.07
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 2344633) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID2344633
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-9(6-10)7-13(20)21-8-12(19)18-11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,18,19)
InChIKeyCSDJPRUJRAUIOW-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclohexylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759347
[2-(Cyclopropylamino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2371758
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2998110
(2R,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635963
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2606850
2-(Cyclopentylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759290
[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 2344652
2,4-Difluorobenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester
CID 2344638
(2S,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10540176
2-[[3-(Trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10825154
[2-(Cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2343958
[2-(Cyclopropylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2359380

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate (CID 2344633) is [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is CSDJPRUJRAUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-3-1-2-9(6-10)7-13(20)21-8-12(19)18-11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 301.26 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 2344633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).