CHEBI:269574 - abamine

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ChEBI Name abamine
ChEBI ID CHEBI:269574
Definition An amino acid ester that is methyl glycine in which one of hydrogens attached to the nitrogen is remplaced by a 4-fluorobenzyl group while the other is replaced by a 3,4-dimethoxycinnamyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H24FNO4
Net Charge 0
Average Mass 373.41800
Monoisotopic Mass 373.16894
InChI InChI=1S/C21H24FNO4/c1-25-19-11-8-16(13-20(19)26-2)5-4-12-23(15-21(24)27-3)14-17-6-9-18(22)10-7-17/h4-11,13H,12,14-15H2,1-3H3/b5-4+
InChIKey MLDWSQWMXACHHN-SNAWJCMRSA-N
SMILES COC(=O)CN(C\C=C\c1ccc(OC)c(OC)c1)Cc1ccc(F)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing abamine (CHEBI:269574) is a α-amino acid ester (CHEBI:46874)
abamine (CHEBI:269574) is a glycine derivative (CHEBI:24373)
abamine (CHEBI:269574) is a methyl ester (CHEBI:25248)
abamine (CHEBI:269574) is a monofluorobenzenes (CHEBI:83575)
abamine (CHEBI:269574) is a tertiary amino compound (CHEBI:50996)
IUPAC Names
methyl N-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]-N-(4-fluorobenzyl)glycinate
methyl {[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl](4-fluorobenzyl)amino}acetate
Synonym Source
[[(E)-3-(3,4-Dimethoxy-phenyl)-allyl]-(4-fluoro-benzyl)-amino]-acetic acid methyl ester ChEMBL
Registry Number Type Source
9794231 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15149639 PubMed citation ChEMBL
15247398 PubMed citation Europe PMC
21877731 PubMed citation Europe PMC
Last Modified
03 March 2015