L-Lysine, methyl ester
Basic information
- CAS
687-64-9- Standard SMILES
COC(=O)[C@@H](N)CCCCN- InChIKey
KPNBUPJZFJCCIQ-LURJTMIESA-N- Molecular formula
- C7H16N2O2
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.12117776
Overview
Methyl L-lysinate is the L-lysyl ester formed by conjugating L-lysine with methanol.
Names & identifiers
- Preferred name
- L-Lysine, methyl ester
- IUPAC
- methyl (2S)-2,6-diaminohexanoate
Names & synonyms
687-64-9L-Lysine methyl esterL-Lysine, methyl esterRefChem:924421211-697-8Methyl lysinatemethyl L-lysinate(S)-Methyl 2,6-diaminohexanoatemethyl (2S)-2,6-diaminohexanoatelysine methyl esterEINECS 211-697-8L-Lysine methylester
Show more names
SCHEMBL214894CHEMBL1229067CHEBI:21354methyl (S)-2,6-diaminohexanoateBBL010918STK801848AKOS005622600alpha,epsilon-diaminocaproic methyl ester
Database identifiers
- CAS
687-64-9- PubChem CID
- 117779
- ChEMBL
CHEMBL1229067- ChEBI
CHEBI:21354- EC Number
- 211-697-8
- Nikkaji
- J39.255C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
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Related reactions
9 records
Compound notes
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