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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H13NO2.ClH
Molecular Weight 167.634
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-Alanine isopropyl ester hydrochloride

SMILES

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

InChI

InChIKey=YAQKNCSWDMGPOY-NUBCRITNSA-N
InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 19:43:58 GMT 2025
Edited
by admin
on Wed Apr 02 19:43:58 GMT 2025
Record UNII
6LC68GE9SC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-Alanine, 1-methylethyl ester, hydrochloride
Preferred Name English
D-Alanine isopropyl ester hydrochloride
Systematic Name English
Propan-2-yl (2R)-2-aminopropanoate hydrochloride
Systematic Name English
D-Alanine, 1-methylethyl ester, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
39613-92-8
Created by admin on Wed Apr 02 19:43:58 GMT 2025 , Edited by admin on Wed Apr 02 19:43:58 GMT 2025
PRIMARY
FDA UNII
6LC68GE9SC
Created by admin on Wed Apr 02 19:43:58 GMT 2025 , Edited by admin on Wed Apr 02 19:43:58 GMT 2025
PRIMARY
PUBCHEM
51064150
Created by admin on Wed Apr 02 19:43:58 GMT 2025 , Edited by admin on Wed Apr 02 19:43:58 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ENANTIOMER -> ENANTIOMER