Basic information
- CAS
3082-77-7- Standard SMILES
CCOC(=O)[C@@H](N)CCSC- InChIKey
ARJXIGOIOGJAKR-LURJTMIESA-N- Molecular formula
- C7H15NO2S
- Average molar mass
- 177.27 g/mol
- Monoisotopic mass
- 177.08234989
Overview
Ethyl L-methioninate is an L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of L-methionine with ethanol. It has a role as a potassium channel blocker. It is an alpha-amino acid ester and a L-methionine derivative.
Names & identifiers
- Preferred name
- L-Methionine, ethyl ester
- IUPAC
- ethyl (2S)-2-amino-4-methylsulfanylbutanoate
- English name
- ethyl L-methionate
- Molecular formula
- C7H15NO2S
- Molecular weight
- 177.26
Names & synonyms
3082-77-7L-Methionine, ethyl esterEthyl L-methionateRefChem:1088224221-381-1Methionine ethyl esterEthyl L-methioninateETHYL (2S)-2-AMINO-4-(METHYLSULFANYL)BUTANOATEL-methionine ethyl esterethyl methioninateMethionine, ethyl ester, L-Ethyl DL-methionate
Show more names
AMBA-005L-Methionine ethyl(2S)-2-Amino-4-(methylthio)butyric acid ethyl ester
L-methionine ethyl-esterl-met ethyl esterMet-OEtEINECS 207-215-0EINECS 221-381-1L-Met-OEtEthyl 2-amino-4-(methylsulfanyl)butanoate #O-Ethyl-L-methionine
Database identifiers
- CAS
3082-77-7、452-95-9- PubChem CID
- 76508
- DTXSID
DTXSID70953019- ChEMBL
CHEMBL1229082- ChEBI
CHEBI:131435- UNII
- 63DJC6YV4K
- EC Number
- 207-215-0、221-381-1
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 257.9 · 257.9±30.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.35(Predicted)
Chemistry & industry
Suppliers2 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
Additional notes
DefinitionChEBI: Ethyl L-methioninate is an L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of L-methionine with ethanol. It has a role as a potassium channel blocker. It is an alpha-amino acid ester and a L-methionine derivative.
Related reactions
3 records
Compound notes
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