L-Theanine
(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid
Molecular Identity
L-Theanine
(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid
PubChem CID: 439378
N(5)-ethyl-L-glutamine is a N5-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea. It has a role as a geroprotector, a neuroprotective agent and a plant metabolite. It is a tautomer of a N(5)-ethyl-L-glutamine zwitterion.
2D Structure
Properties
C7H14N2O3
Molecular Formula
174.20
Molecular Weight
g/mol
174.1004
Exact Mass
Da
-3.6
XLogP
Drug-like (Lipinski: < 5)
92.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
170
Complexity
SMILES
Canonical SMILES
SMILES: CCNC(=O)CCC(C(=O)O)NIsomeric SMILES
SMILES: CCNC(=O)CC[C@@H](C(=O)O)NSynonyms(20)
L-Theanine3081-61-6TheanineTheaninSuntheanine(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acidDTXSID801848178021PR16QONSC-21308NSC21308delta-glutamylethylamide(2S)-2-azaniumyl-5-(ethylamino)-5-oxopentanoateL-Glutamic acid-gamma-ethylamideRefChem:51690DTXCID20107308
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to L-Theanine
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