CHEBI:83652 - [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid

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ChEBI Name [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid
ChEBI ID CHEBI:83652
Definition A monocarboxylic acid that is oxoacetic acid substituted by a (2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H21NO4
Net Charge 0
Average Mass 279.33150
Monoisotopic Mass 279.14706
InChI InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19)
InChIKey LNOOSYCKMKZOJB-UHFFFAOYSA-N
SMILES CCc1cccc(C)c1N(C(C)COC)C(=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid (CHEBI:83652) is a aromatic amide (CHEBI:62733)
[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid (CHEBI:83652) is a ether (CHEBI:25698)
[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid (CHEBI:83652) is a monocarboxylic acid (CHEBI:25384)
Incoming (R)-metolachlor OXA (CHEBI:83653) is a [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid (CHEBI:83652)
(S)-metolachlor OXA (CHEBI:83655) is a [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid (CHEBI:83652)
IUPAC Name
[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid
Last Modified
07 November 2014