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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H17NO3
Molecular Weight 199.2469
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-2-(METHYLAMINO)-3-OXO-6-OCTENOIC ACID, (2S,4R,6E)-

SMILES

CN[C@H](C(O)=O)C(=O)[C@H](C)C\C=C\C

InChI

InChIKey=RNSQZHRCLLLRKC-VWFQECGMSA-N
InChI=1S/C10H17NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-8,11H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-METHYL-2-(METHYLAMINO)-3-OXO-6-OCTENOIC ACID, (2S,4R,6E)-
Systematic Name English
6-OCTENOIC ACID, 4-METHYL-2-(METHYLAMINO)-3-OXO-, (2S,4R,6E)-
Preferred Name English
Code System Code Type Description
FDA UNII
IAB946LF8U
Created by admin on Tue Apr 01 22:43:27 GMT 2025 , Edited by admin on Tue Apr 01 22:43:27 GMT 2025
PRIMARY
PUBCHEM
87885071
Created by admin on Tue Apr 01 22:43:27 GMT 2025 , Edited by admin on Tue Apr 01 22:43:27 GMT 2025
PRIMARY
CAS
1821736-49-5
Created by admin on Tue Apr 01 22:43:27 GMT 2025 , Edited by admin on Tue Apr 01 22:43:27 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
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