| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 12 | Yes |
Popular Name: L-Theanine L-Theanine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3081-61-6 , 34271-54-0 , [3081-61-6]
(+)-Theanine;L-gamma-Glutamylethylamide;L-Theanine;N-gamma-Ethyl-L-glutamine;Theanine
(S)-2-Amino-5-(ethylamino)-5-oxopentanoic acid
2-Amino-5-(ethylamino)-5-oxopentanoic acid
3081-61-6; C01047; L-Theanine; N5-Ethyl-L-glutamine
CHEBI:21845; CHEBI:12651; CHEBI:7397
CPD-9384; N5-ethyl-L-glutamine; N5-ethylglutamine; gamma-glutamyl-ethylamide
L-Theanine (Ngamma-ethyl-L-glutamine)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.01 | 0.18 | -50.43 | 4 | 5 | 0 | 97 | 174.2 | 5 | ↓ |
| Hi High (pH 8-9.5) | -3.01 | -0.13 | -53.09 | 3 | 5 | -1 | 95 | 173.192 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 207 | TCI |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP1057483A1 | IBM Patent Data |
| Purity | JP2000; 99% Min | APIChem |
