U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H11NO3
Molecular Weight 193.1992
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-.BETA.-OXOPHENYLALANINE

SMILES

CC1=CC=C(C=C1)C(=O)C(N)C(O)=O

InChI

InChIKey=GQPNWVMRRHBQNW-UHFFFAOYSA-N
InChI=1S/C10H11NO3/c1-6-2-4-7(5-3-6)9(12)8(11)10(13)14/h2-5,8H,11H2,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C10H11NO3
Molecular Weight 193.1992
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:39:19 UTC 2023
Edited
by admin
on Sat Dec 16 15:39:19 UTC 2023
Record UNII
Q2JHW5FAJ1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-.BETA.-OXOPHENYLALANINE
Systematic Name English
N-DEMETHYLMEPHEDRONE-3-CARBOXYLIC ACID
Common Name English
PHENYLALANINE, 4-METHYL-.BETA.-OXO-
Systematic Name English
MEPHEDRONE METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
12820770
Created by admin on Sat Dec 16 15:39:19 UTC 2023 , Edited by admin on Sat Dec 16 15:39:19 UTC 2023
PRIMARY
FDA UNII
Q2JHW5FAJ1
Created by admin on Sat Dec 16 15:39:19 UTC 2023 , Edited by admin on Sat Dec 16 15:39:19 UTC 2023
PRIMARY
CAS
121487-20-5
Created by admin on Sat Dec 16 15:39:19 UTC 2023 , Edited by admin on Sat Dec 16 15:39:19 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VIVO
URINE