methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate

C7H13NO3S — CID 43407580

IUPACmethyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CSC
InChIInChI=1S/C7H13NO3S/c1-8(4-7(10)11-2)6(9)5-12-3/h4-5H2,1-3H3
InChIKeyDOCWAWXUFPGLSQ-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.02
Rot. Bonds4

About methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate

methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate (PubChem CID 43407580) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate
PubChem CID43407580
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Namemethyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CSC
InChIInChI=1S/C7H13NO3S/c1-8(4-7(10)11-2)6(9)5-12-3/h4-5H2,1-3H3
InChIKeyDOCWAWXUFPGLSQ-UHFFFAOYSA-N
XLogP-0.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate (CID 43407580) is methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate is COC(=O)CN(C)C(=O)CSC.
What is the InChIKey of methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate?
The InChIKey is DOCWAWXUFPGLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-8(4-7(10)11-2)6(9)5-12-3/h4-5H2,1-3H3.
What are the key properties of methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate?
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate has a molecular weight of 191.25 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-methylsulfanylacetyl)amino]acetate is sourced from PubChem (CID 43407580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).