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Details

Stereochemistry RACEMIC
Molecular Formula C6H10ClNO3
Molecular Weight 179.602
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-(ACETYLAMINO)-3-CHLOROPROPIONATE, (±)-

SMILES

COC(=O)C(CCl)NC(C)=O

InChI

InChIKey=IGKDMFMKAAPDDN-UHFFFAOYSA-N
InChI=1S/C6H10ClNO3/c1-4(9)8-5(3-7)6(10)11-2/h5H,3H2,1-2H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C6H10ClNO3
Molecular Weight 179.602
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 Mon Mar 31 20:54:48 GMT 2025
Edited
by admin
on Mon Mar 31 20:54:48 GMT 2025
Record UNII
NRR48EMO38
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 2-(ACETYLAMINO)-3-CHLOROPROPIONATE, (±)-
Systematic Name English
NSC-146378
Preferred Name English
ALANINE, N-ACETYL-3-CHLORO-, METHYL ESTER
Systematic Name English
DL-N-ACETYL-.BETA.-CHLOROALANINE METHYL ESTER
Systematic Name English
(±)-METHYL 2-(ACETYLAMINO)-3-CHLOROPROPIONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
287006
Created by admin on Mon Mar 31 20:54:48 GMT 2025 , Edited by admin on Mon Mar 31 20:54:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID601335105
Created by admin on Mon Mar 31 20:54:48 GMT 2025 , Edited by admin on Mon Mar 31 20:54:48 GMT 2025
PRIMARY
CAS
87333-22-0
Created by admin on Mon Mar 31 20:54:48 GMT 2025 , Edited by admin on Mon Mar 31 20:54:48 GMT 2025
PRIMARY
NSC
146378
Created by admin on Mon Mar 31 20:54:48 GMT 2025 , Edited by admin on Mon Mar 31 20:54:48 GMT 2025
PRIMARY
FDA UNII
NRR48EMO38
Created by admin on Mon Mar 31 20:54:48 GMT 2025 , Edited by admin on Mon Mar 31 20:54:48 GMT 2025
PRIMARY