U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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, (2E)-

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
METHYL 3-AMINO-2-BUTENOATE, (2E)-
Systematic Name English
METHYL (2E)-3-AMINOBUT-2-ENOATE
Systematic Name English
NIFEDIPINE IMPURITY D [EP IMPURITY]
Common Name English
2-BUTENOIC ACID, 3-AMINO-, METHYL ESTER, (E)-
Systematic Name English
(E)-METHYL 3-AMINOCROTONATE
Systematic Name English
2-BUTENOIC ACID, 3-AMINO-, METHYL ESTER, (2E)-
Systematic Name English
Code System Code Type Description
FDA UNII
LWO4Y3WLG7
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
PRIMARY
CAS
80012-11-9
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
PRIMARY
PUBCHEM
642240
Created by admin on Sat Dec 16 11:03:10 GMT 2023 , Edited by admin on Sat Dec 16 11:03:10 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966