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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19NO3
Molecular Weight 249.3056
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[2-(1,1-Dimethylethyl)phenyl]amino]-4-oxobutanoic acid

SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CCC(O)=O

InChI

InChIKey=OHADMZXCKCKARP-UHFFFAOYSA-N
InChI=1S/C14H19NO3/c1-14(2,3)10-6-4-5-7-11(10)15-12(16)8-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H19NO3
Molecular Weight 249.3056
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:06:56 GMT 2025
Edited
by admin
on Wed Apr 02 18:06:56 GMT 2025
Record UNII
RZ6AS2RV3P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[[2-(1,1-Dimethylethyl)phenyl]amino]-4-oxobutanoic acid
Systematic Name English
3-[(2-tert-Butylphenyl)carbamoyl]propanoic acid
Preferred Name English
Butanoic acid, 4-[[2-(1,1-dimethylethyl)phenyl]amino]-4-oxo-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30424255
Created by admin on Wed Apr 02 18:06:56 GMT 2025 , Edited by admin on Wed Apr 02 18:06:56 GMT 2025
PRIMARY
FDA UNII
RZ6AS2RV3P
Created by admin on Wed Apr 02 18:06:56 GMT 2025 , Edited by admin on Wed Apr 02 18:06:56 GMT 2025
PRIMARY
PUBCHEM
6468356
Created by admin on Wed Apr 02 18:06:56 GMT 2025 , Edited by admin on Wed Apr 02 18:06:56 GMT 2025
PRIMARY
CAS
904807-77-8
Created by admin on Wed Apr 02 18:06:56 GMT 2025 , Edited by admin on Wed Apr 02 18:06:56 GMT 2025
PRIMARY