methyl 2-(methylamino)-4-methylsulfanylbutanoate

C7H15NO2S — CID 23436119

IUPACmethyl 2-(methylamino)-4-methylsulfanylbutanoate
SMILESCNC(CCSC)C(=O)OC
InChIInChI=1S/C7H15NO2S/c1-8-6(4-5-11-3)7(9)10-2/h6,8H,4-5H2,1-3H3
InChIKeyCBAKLEVLBHBVOC-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.50
Rot. Bonds5

About methyl 2-(methylamino)-4-methylsulfanylbutanoate

methyl 2-(methylamino)-4-methylsulfanylbutanoate (PubChem CID 23436119) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-methylsulfanylbutanoate
PubChem CID23436119
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namemethyl 2-(methylamino)-4-methylsulfanylbutanoate
SMILESCNC(CCSC)C(=O)OC
InChIInChI=1S/C7H15NO2S/c1-8-6(4-5-11-3)7(9)10-2/h6,8H,4-5H2,1-3H3
InChIKeyCBAKLEVLBHBVOC-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methylsulfanyl-2-(propanoylamino)butanoate
CID 21476824
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
methyl 4-(2-methoxyethylsulfanyl)-2-(methylamino)butanoate
CID 63033198
methyl 4-methylsulfanyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 60997986
methyl (2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoate
CID 15575143
methyl 2-amino-4-methylsulfanylbutanoate chloride
CID 170923229
methyl (2S)-2-(2-cyanoethylamino)-4-methylsulfanylbutanoate
CID 57183267
methyl 4-cyclohexylsulfanyl-2-(methylamino)butanoate
CID 63035399
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
methyl (2S)-2-amino-4-methylsulfanylbutanoate;methyl (2S)-2-[[2-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]amino]-4-methylsulfanylbutanoate;oxalyl dichloride
CID 161225910
methyl 2-(5-aminopentanoylamino)-4-methylsulfanylbutanoate
CID 86585326
methyl (2S)-2-amino-4-methylsulfanylbutanoate;platinum(2+);dichloride
CID 138397899

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-methylsulfanylbutanoate?
The IUPAC name of methyl 2-(methylamino)-4-methylsulfanylbutanoate (CID 23436119) is methyl 2-(methylamino)-4-methylsulfanylbutanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-methylsulfanylbutanoate?
The canonical SMILES for methyl 2-(methylamino)-4-methylsulfanylbutanoate is CNC(CCSC)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-4-methylsulfanylbutanoate?
The InChIKey is CBAKLEVLBHBVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-8-6(4-5-11-3)7(9)10-2/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 2-(methylamino)-4-methylsulfanylbutanoate?
methyl 2-(methylamino)-4-methylsulfanylbutanoate has a molecular weight of 177.27 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-methylsulfanylbutanoate is sourced from PubChem (CID 23436119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).