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

C5H12ClNO2S — CID 2763147

IUPACmethyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CSC.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-8-5(7)4(6)3-9-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyHOOBCPSLMYVDBX-WCCKRBBISA-N
MW185.68 g/mol
LogP0.27
Rot. Bonds3

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

methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride (PubChem CID 2763147) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
PubChem CID2763147
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Namemethyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CSC.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-8-5(7)4(6)3-9-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChIKeyHOOBCPSLMYVDBX-WCCKRBBISA-N
XLogP0.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S)-2-amino-3-hydroxypropanoate
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methyl (2R)-2-amino-3-(2-hydroxyethylsulfanyl)propanoate
CID 12858851
methyl 2-amino-4-methylsulfanylbutanoate chloride
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methyl 2-amino-3-tert-butylsulfanylpropanoate
CID 23079585
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899
methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
CID 13050342
3-amino-4-methylsulfanylbutan-2-one
CID 20644498

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride (CID 2763147) is methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride is COC(=O)[C@@H](N)CSC.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride?
The InChIKey is HOOBCPSLMYVDBX-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-8-5(7)4(6)3-9-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1.
What are the key properties of methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride?
methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride is sourced from PubChem (CID 2763147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).