methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate

C6H14N2O4S — CID 61072579

IUPACmethyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-5(6(9)12-3)4-8(2)13(7,10)11/h5H,4H2,1-3H3,(H2,7,10,11)
InChIKeyLKXGJNZYMVANPX-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.07
Rot. Bonds4

About methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate

methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate (PubChem CID 61072579) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate
PubChem CID61072579
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Namemethyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O4S/c1-5(6(9)12-3)4-8(2)13(7,10)11/h5H,4H2,1-3H3,(H2,7,10,11)
InChIKeyLKXGJNZYMVANPX-UHFFFAOYSA-N
XLogP-1.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate (CID 61072579) is methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate is COC(=O)C(C)CN(C)S(N)(=O)=O.
What is the InChIKey of methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate?
The InChIKey is LKXGJNZYMVANPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-5(6(9)12-3)4-8(2)13(7,10)11/h5H,4H2,1-3H3,(H2,7,10,11).
What are the key properties of methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate?
methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate has a molecular weight of 210.25 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(sulfamoyl)amino]propanoate is sourced from PubChem (CID 61072579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).