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

C4H10ClNO2S — CID 2733208

IUPACmethyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CS.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKeyWHOHXJZQBJXAKL-DFWYDOINSA-N
MW171.65 g/mol
LogP-0.16
Rot. Bonds2

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

methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride (PubChem CID 2733208) has the molecular formula C4H10ClNO2S and a molecular weight of 171.65 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
PubChem CID2733208
Molecular FormulaC4H10ClNO2S
Molecular Weight171.65 g/mol
Exact Mass171.01
IUPAC Namemethyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CS.Cl
InChIInChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m0./s1
InChIKeyWHOHXJZQBJXAKL-DFWYDOINSA-N
XLogP-0.16
TPSA52.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

L-Cysteine, methyl ester
CID 29145
Ethyl cysteinate hydrochloride
CID 2723617
Cysteine, methyl ester, hydrochloride (1:1)
CID 21951
Ethyl L-cysteinate
CID 13359
L-Cystine, 1,1'-dimethyl ester
CID 2724377
Visclair
CID 29144
Methyl DL-cysteinate
CID 4040
Alanine methyl ester hydrochloride
CID 2733257
Alanine, methyl ester, hydrochloride (1:1)
CID 2756298
L-Methionine, methyl ester, hydrochloride
CID 11435579
methyl (2S)-2-amino-4-(methylsulfanyl)butanoate
CID 64684
Ethitanin
CID 13358

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride (CID 2733208) is methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride is COC(=O)[C@@H](N)CS.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride?
The InChIKey is WHOHXJZQBJXAKL-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9NO2S.ClH/c1-7-4(6)3(5)2-8;/h3,8H,2,5H2,1H3;1H/t3-;/m0./s1.
What are the key properties of methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride?
methyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride has a molecular weight of 171.65 g/mol, XLogP of -0.16, 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;hydrochloride is sourced from PubChem (CID 2733208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).