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Details

Stereochemistry ABSOLUTE
Molecular Formula C8H13NO3
Molecular Weight 171.1937
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL PCA

SMILES

CC(C)OC(=O)[C@@H]1CCC(=O)N1

InChI

InChIKey=IZHXNBPKBCUDOZ-LURJTMIESA-N
InChI=1S/C8H13NO3/c1-5(2)12-8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C8H13NO3
Molecular Weight 171.1937
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 21:03:09 GMT 2025
Edited
by admin
on Mon Mar 31 21:03:09 GMT 2025
Record UNII
9O665H5F8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VAMACTIVE 51
Preferred Name English
ISOPROPYL PCA
INCI  
INCI  
Official Name English
NSC-134259
Code English
ISOPROPYL PYROGLUTAMATE
Common Name English
L-PROLINE, 5-OXO-, 1-METHYLETHYL ESTER
Common Name English
PROLINE, 5-OXO-, 1-METHYLETHYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
14038124
Created by admin on Mon Mar 31 21:03:09 GMT 2025 , Edited by admin on Mon Mar 31 21:03:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID801293345
Created by admin on Mon Mar 31 21:03:09 GMT 2025 , Edited by admin on Mon Mar 31 21:03:09 GMT 2025
PRIMARY
FDA UNII
9O665H5F8N
Created by admin on Mon Mar 31 21:03:09 GMT 2025 , Edited by admin on Mon Mar 31 21:03:09 GMT 2025
PRIMARY
CAS
52989-50-1
Created by admin on Mon Mar 31 21:03:09 GMT 2025 , Edited by admin on Mon Mar 31 21:03:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-285-4
Created by admin on Mon Mar 31 21:03:09 GMT 2025 , Edited by admin on Mon Mar 31 21:03:09 GMT 2025
PRIMARY
NSC
134259
Created by admin on Mon Mar 31 21:03:09 GMT 2025 , Edited by admin on Mon Mar 31 21:03:09 GMT 2025
PRIMARY