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

Details

Stereochemistry RACEMIC
Molecular Formula C3H6FNO2
Molecular Weight 107.0836
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-FLUORO-.BETA.-ALANINE

SMILES

NCC(F)C(O)=O

InChI

InChIKey=OJQNRNQELNLWHH-UHFFFAOYSA-N
InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7)

HIDE SMILES / InChI

Molecular Formula C3H6FNO2
Molecular Weight 107.0836
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 08:16:29 UTC 2023
Edited
by admin
on Sat Dec 16 08:16:29 UTC 2023
Record UNII
1461S5575Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-FLUORO-.BETA.-ALANINE
Systematic Name English
PROPANOIC ACID, 3-AMINO-2-FLUORO-
Systematic Name English
3-AMINO-2-FLUOROPROPANOIC ACID
Systematic Name English
FLUORO-.BETA.-ALANINE
Systematic Name English
2-FLUORO-.BETA.-ALANINE
Systematic Name English
Code System Code Type Description
CAS
3821-81-6
Created by admin on Sat Dec 16 08:16:30 UTC 2023 , Edited by admin on Sat Dec 16 08:16:30 UTC 2023
PRIMARY
ECHA (EC/EINECS)
223-318-3
Created by admin on Sat Dec 16 08:16:30 UTC 2023 , Edited by admin on Sat Dec 16 08:16:30 UTC 2023
PRIMARY
FDA UNII
1461S5575Q
Created by admin on Sat Dec 16 08:16:30 UTC 2023 , Edited by admin on Sat Dec 16 08:16:30 UTC 2023
PRIMARY
PUBCHEM
13351
Created by admin on Sat Dec 16 08:16:30 UTC 2023 , Edited by admin on Sat Dec 16 08:16:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID00959160
Created by admin on Sat Dec 16 08:16:30 UTC 2023 , Edited by admin on Sat Dec 16 08:16:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
PARENT -> METABOLITE