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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15NO2
Molecular Weight 157.2102
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Isobutyl (E)-3-amino-2-butenoate

SMILES

CC(C)COC(=O)\C=C(/C)N

InChI

InChIKey=DFLRRTPSYIFGOC-QPJJXVBHSA-N
InChI=1S/C8H15NO2/c1-6(2)5-11-8(10)4-7(3)9/h4,6H,5,9H2,1-3H3/b7-4+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Butenoic acid, 3-amino-, 2-methylpropyl ester, (2E)-
Preferred Name English
Isobutyl (E)-3-amino-2-butenoate
Systematic Name English
2-Methylpropyl (2E)-3-amino-2-butenoate
Systematic Name English
Code System Code Type Description
PUBCHEM
11051914
Created by admin on Wed Apr 02 19:55:09 GMT 2025 , Edited by admin on Wed Apr 02 19:55:09 GMT 2025
PRIMARY
FDA UNII
B6U9CKK8KS
Created by admin on Wed Apr 02 19:55:09 GMT 2025 , Edited by admin on Wed Apr 02 19:55:09 GMT 2025
PRIMARY
CAS
856427-31-1
Created by admin on Wed Apr 02 19:55:09 GMT 2025 , Edited by admin on Wed Apr 02 19:55:09 GMT 2025
PRIMARY
NIH
NCATS
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