methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate

C8H18N2O4S — CID 63194222

IUPACmethyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C8H18N2O4S/c1-6(7(11)14-4)15(12,13)10-8(2,3)5-9/h6,10H,5,9H2,1-4H3
InChIKeyRUXSOVJIYTXEOI-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.80
Rot. Bonds5

About methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate

methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate (PubChem CID 63194222) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate
PubChem CID63194222
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC(C)(C)CN
InChIInChI=1S/C8H18N2O4S/c1-6(7(11)14-4)15(12,13)10-8(2,3)5-9/h6,10H,5,9H2,1-4H3
InChIKeyRUXSOVJIYTXEOI-UHFFFAOYSA-N
XLogP-0.80
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate (CID 63194222) is methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NC(C)(C)CN.
What is the InChIKey of methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate?
The InChIKey is RUXSOVJIYTXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-6(7(11)14-4)15(12,13)10-8(2,3)5-9/h6,10H,5,9H2,1-4H3.
What are the key properties of methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate?
methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate has a molecular weight of 238.31 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-amino-2-methylpropan-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 63194222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).