L-Cysteine, methyl ester

Details

• Internal ID: 02eba38b-e83d-40ec-9da3-cf82f48b620c
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid esters
• IUPAC Name: methyl (2R)-2-amino-3-sulfanylpropanoate
• InChI: InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
• InChI Key: MCYHPZGUONZRGO-VKHMYHEASA-N
• Popularity: 422 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₉NO₂S
• Molecular Weight: 135.19 g/mol
• Exact Mass: 135.03539970 g/mol
• Topological Polar Surface Area (TPSA): 53.30 Ų
• XlogP: -0.50

Synonyms

• Methyl L-cysteinate
• Methyl Cysteine
• 2485-62-3
• Mecisteina
• Mecysteinum
• Methyl (R)-cysteinate
• Methyl ester of cysteine
• L-Cysteine, methyl ester
• RQ6L463N3B
• DTXSID8048365
• CHEBI:41531
• RefChem:924394
• DTXCID4028339
• 219-625-7
• Cysteine methyl ester
• methyl (2R)-2-amino-3-sulfanylpropanoate
• O-METHYLCYSTEINE
• L-CYSTEINE METHYL ESTER
• Mecysteine [INN]
• Acthiol J
• Mecysteine (INN)
• MFCD00137423
• methyl (2R)-2-amino-3-sulfanyl-propanoate
• Mecysteine [INN:BAN]
• NCGC00166005-01
• Mecysteinum [INN-Latin]
• Mecisteina [INN-Spanish]
• Cysteine, methyl ester, L-
• UNII-RQ6L463N3B
• SR-01000695426
• EINECS 219-625-7
• Methyl 2-amino-3-mercaptopropionate
• H-Cys-OMe
• l-cycteine methyl ester
• MECYSTEINE [MI]
• MECYSTEINE [WHO-DD]
• SCHEMBL94255
• SCHEMBL4810981
• CHEMBL1231844
• BDBM79407
• cid_2733208
• AKOS025312501
• Methyl 2-amino-3-sulfanylpropanoate #
• methyl(2R)-2-amino-3-sulfanylpropanoate
• NCGC00166005-02
• DB-267096
• NS00081906
• D08164
• EN300-194214
• SR-01000695426-3
• Q27120429
• methyl (2R)-2-azanyl-3-sulfanyl-propanoate;hydrochloride
• (2R)-2-amino-3-mercapto-propionic acid methyl ester;hydrochloride
• (2R)-2-amino-3-mercaptopropanoic acid methyl ester;hydrochloride

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293235	P02545	Prelamin-A/C	0.9 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.29%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	90.21%	96.95%
CHEMBL4040	P28482	MAP kinase ERK2	88.29%	83.82%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.70%	99.17%
CHEMBL3437	Q16853	Amine oxidase, copper containing	86.35%	94.00%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	85.67%	100.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.54%	94.45%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	82.84%	92.29%
CHEMBL340	P08684	Cytochrome P450 3A4	82.16%	91.19%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.62%	91.11%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.16%	94.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 29145
• NPASS: NPC191136
• ChEMBL: CHEMBL1231844