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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9NO2
Molecular Weight 115.1305
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-AMINO-2-BUTENOATE, (2Z)-

SMILES

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

InChI

InChIKey=XKORCTIIRYKLLG-ARJAWSKDSA-N
InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-

HIDE SMILES / InChI

Molecular Formula C5H9NO2
Molecular Weight 115.1305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:34:58 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:58 GMT 2025
Record UNII
R4X25GNG1J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-65444
Preferred Name English
METHYL 3-AMINO-2-BUTENOATE, (2Z)-
Common Name English
2-BUTENOIC ACID, 3-AMINO-, METHYL ESTER, (2Z)-
Systematic Name English
METHYL (2Z)-3-AMINO-2-BUTENOATE
Systematic Name English
(Z)-METHYL 3-AMINOBUT-2-ENOATE
Systematic Name English
2-BUTENOIC ACID, 3-AMINO-, METHYL ESTER, (Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
R4X25GNG1J
Created by admin on Mon Mar 31 23:34:58 GMT 2025 , Edited by admin on Mon Mar 31 23:34:58 GMT 2025
PRIMARY
CAS
21731-17-9
Created by admin on Mon Mar 31 23:34:58 GMT 2025 , Edited by admin on Mon Mar 31 23:34:58 GMT 2025
PRIMARY
NSC
65444
Created by admin on Mon Mar 31 23:34:58 GMT 2025 , Edited by admin on Mon Mar 31 23:34:58 GMT 2025
PRIMARY
PUBCHEM
643918
Created by admin on Mon Mar 31 23:34:58 GMT 2025 , Edited by admin on Mon Mar 31 23:34:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
244-549-6
Created by admin on Mon Mar 31 23:34:58 GMT 2025 , Edited by admin on Mon Mar 31 23:34:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID701245448
Created by admin on Mon Mar 31 23:34:58 GMT 2025 , Edited by admin on Mon Mar 31 23:34:58 GMT 2025
PRIMARY