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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H13NO2
Molecular Weight 131.1729
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL L-ALANINATE

SMILES

CC(C)OC(=O)[C@H](C)N

InChI

InChIKey=QDQVXVRZVCTVHE-YFKPBYRVSA-N
InChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H13NO2
Molecular Weight 131.1729
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 Wed Apr 02 12:47:17 GMT 2025
Edited
by admin
on Wed Apr 02 12:47:17 GMT 2025
Record UNII
3V3N8GY69P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALANINE, ISOPROPYL ESTER
Preferred Name English
ISOPROPYL L-ALANINATE
Common Name English
L-ALANINE, 1-METHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
13089460
Created by admin on Wed Apr 02 12:47:17 GMT 2025 , Edited by admin on Wed Apr 02 12:47:17 GMT 2025
PRIMARY
FDA UNII
3V3N8GY69P
Created by admin on Wed Apr 02 12:47:17 GMT 2025 , Edited by admin on Wed Apr 02 12:47:17 GMT 2025
PRIMARY
CAS
39825-33-7
Created by admin on Wed Apr 02 12:47:17 GMT 2025 , Edited by admin on Wed Apr 02 12:47:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID10960388
Created by admin on Wed Apr 02 12:47:17 GMT 2025 , Edited by admin on Wed Apr 02 12:47:17 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
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