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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H8FN3O4
Molecular Weight 217.1545
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Fluorowillardiine, (S)-

SMILES

N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O

InChI

InChIKey=DBWPFHJYSTVBCZ-BYPYZUCNSA-N
InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H8FN3O4
Molecular Weight 217.1545
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:47:54 GMT 2025
Edited
by admin
on Mon Mar 31 22:47:54 GMT 2025
Record UNII
7CTR2LWV5M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Fluorowillardiine, (S)-
Common Name English
(5S)-Fluorowillardiine
Preferred Name English
(S)-(-)-5-FLUOROWILLARDINE
Common Name English
(?S)-?-Amino-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinepropanoic acid
Systematic Name English
(2S)-2-Amino-3-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
Systematic Name English
1(2H)-Pyrimidinepropanoic acid, ?-amino-5-fluoro-3,4-dihydro-2,4-dioxo-, (?S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID1042609
Created by admin on Mon Mar 31 22:47:54 GMT 2025 , Edited by admin on Mon Mar 31 22:47:54 GMT 2025
PRIMARY
PUBCHEM
126569
Created by admin on Mon Mar 31 22:47:54 GMT 2025 , Edited by admin on Mon Mar 31 22:47:54 GMT 2025
PRIMARY
FDA UNII
7CTR2LWV5M
Created by admin on Mon Mar 31 22:47:54 GMT 2025 , Edited by admin on Mon Mar 31 22:47:54 GMT 2025
PRIMARY
CAS
140187-23-1
Created by admin on Mon Mar 31 22:47:54 GMT 2025 , Edited by admin on Mon Mar 31 22:47:54 GMT 2025
PRIMARY
WIKIPEDIA
5-Fluorowillardiine
Created by admin on Mon Mar 31 22:47:54 GMT 2025 , Edited by admin on Mon Mar 31 22:47:54 GMT 2025
PRIMARY