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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14F3NO3
Molecular Weight 289.2504
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate, (R)-

SMILES

COC(=O)C[C@@H](CC1=C(F)C=C(F)C(F)=C1)NC(C)=O

InChI

InChIKey=BBGGHUOAAZMMET-SECBINFHSA-N
InChI=1S/C13H14F3NO3/c1-7(18)17-9(5-13(19)20-2)3-8-4-11(15)12(16)6-10(8)14/h4,6,9H,3,5H2,1-2H3,(H,17,18)/t9-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(R)-Methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate
Preferred Name English
Methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate, (R)-
Systematic Name English
Benzenebutanoic acid, ?-(acetylamino)-2,4,5-trifluoro-, methyl ester, (?R)-
Systematic Name English
Methyl (?R)-?-(acetylamino)-2,4,5-trifluorobenzenebutanoate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60676588
Created by admin on Wed Apr 02 17:30:50 GMT 2025 , Edited by admin on Wed Apr 02 17:30:50 GMT 2025
PRIMARY
PUBCHEM
46836575
Created by admin on Wed Apr 02 17:30:50 GMT 2025 , Edited by admin on Wed Apr 02 17:30:50 GMT 2025
PRIMARY
CAS
1234321-83-5
Created by admin on Wed Apr 02 17:30:50 GMT 2025 , Edited by admin on Wed Apr 02 17:30:50 GMT 2025
PRIMARY
FDA UNII
U83QX7NXP8
Created by admin on Wed Apr 02 17:30:50 GMT 2025 , Edited by admin on Wed Apr 02 17:30:50 GMT 2025
PRIMARY
NIH
NCATS
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