methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate

C8H15NO5S — CID 43431775

IUPACmethyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H15NO5S/c1-9(6-8(11)14-2)7(10)4-5-15(3,12)13/h4-6H2,1-3H3
InChIKeyPNWSVBVRWOLENR-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.95
Rot. Bonds5

About methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate

methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate (PubChem CID 43431775) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate
PubChem CID43431775
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Namemethyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H15NO5S/c1-9(6-8(11)14-2)7(10)4-5-15(3,12)13/h4-6H2,1-3H3
InChIKeyPNWSVBVRWOLENR-UHFFFAOYSA-N
XLogP-0.95
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate (CID 43431775) is methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate is COC(=O)CN(C)C(=O)CCS(C)(=O)=O.
What is the InChIKey of methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate?
The InChIKey is PNWSVBVRWOLENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-9(6-8(11)14-2)7(10)4-5-15(3,12)13/h4-6H2,1-3H3.
What are the key properties of methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate?
methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate has a molecular weight of 237.28 g/mol, XLogP of -0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(3-methylsulfonylpropanoyl)amino]acetate is sourced from PubChem (CID 43431775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).