methyl (2R)-2-amino-3-sulfanylpropanoate

C4H9NO2S — CID 29145

💊View drug profile → mecysteine
IUPACmethyl (2R)-2-amino-3-sulfanylpropanoate
SMILESCOC(=O)[C@@H](N)CS
InChIInChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
InChIKeyMCYHPZGUONZRGO-VKHMYHEASA-N
MW135.19 g/mol
LogP-0.58
Rot. Bonds2

About methyl (2R)-2-amino-3-sulfanylpropanoate

methyl (2R)-2-amino-3-sulfanylpropanoate (PubChem CID 29145) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-sulfanylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-sulfanylpropanoate
PubChem CID29145
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Namemethyl (2R)-2-amino-3-sulfanylpropanoate
SMILESCOC(=O)[C@@H](N)CS
InChIInChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
InChIKeyMCYHPZGUONZRGO-VKHMYHEASA-N
XLogP-0.58
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze methyl (2R)-2-amino-3-sulfanylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ammonio-3-mercaptopropanoate
CID 6419722
L-Cysteine, methyl ester, hydrochloride
CID 2733208
L-homocysteine zwitterion
CID 6971015
Ethyl cysteinate hydrochloride
CID 2723617
Ethyl L-cysteinate
CID 13359
Cysteine, methyl ester, hydrochloride (1:1)
CID 21951
(2S)-2-ammonio-3-mercaptopropanoate
CID 6419721
2-Ammonio-4-sulfanylbutanoate
CID 49791978
L-Cystine, 1,1'-dimethyl ester
CID 2724377
Methyl DL-cysteinate
CID 4040
2-Ammonio-3-sulfanylpropanoate
CID 5260155
methyl (2S)-2-amino-4-(methylsulfanyl)butanoate
CID 64684

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-sulfanylpropanoate?
The IUPAC name of methyl (2R)-2-amino-3-sulfanylpropanoate (CID 29145) is methyl (2R)-2-amino-3-sulfanylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-sulfanylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-3-sulfanylpropanoate is COC(=O)[C@@H](N)CS.
What is the InChIKey of methyl (2R)-2-amino-3-sulfanylpropanoate?
The InChIKey is MCYHPZGUONZRGO-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1.
What are the key properties of methyl (2R)-2-amino-3-sulfanylpropanoate?
methyl (2R)-2-amino-3-sulfanylpropanoate has a molecular weight of 135.19 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-sulfanylpropanoate is sourced from PubChem (CID 29145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).