methyl 2-amino-4-(diethylsulfamoyl)butanoate

C9H20N2O4S — CID 57340093

IUPACmethyl 2-amino-4-(diethylsulfamoyl)butanoate
SMILESCCN(CC)S(=O)(=O)CCC(N)C(=O)OC
InChIInChI=1S/C9H20N2O4S/c1-4-11(5-2)16(13,14)7-6-8(10)9(12)15-3/h8H,4-7,10H2,1-3H3
InChIKeyVTKLETMLIBWDSP-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.45
Rot. Bonds7

About methyl 2-amino-4-(diethylsulfamoyl)butanoate

methyl 2-amino-4-(diethylsulfamoyl)butanoate (PubChem CID 57340093) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is methyl 2-amino-4-(diethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(diethylsulfamoyl)butanoate
PubChem CID57340093
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Namemethyl 2-amino-4-(diethylsulfamoyl)butanoate
SMILESCCN(CC)S(=O)(=O)CCC(N)C(=O)OC
InChIInChI=1S/C9H20N2O4S/c1-4-11(5-2)16(13,14)7-6-8(10)9(12)15-3/h8H,4-7,10H2,1-3H3
InChIKeyVTKLETMLIBWDSP-UHFFFAOYSA-N
XLogP-0.45
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(diethylsulfamoyl)butanoate?
The IUPAC name of methyl 2-amino-4-(diethylsulfamoyl)butanoate (CID 57340093) is methyl 2-amino-4-(diethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(diethylsulfamoyl)butanoate?
The canonical SMILES for methyl 2-amino-4-(diethylsulfamoyl)butanoate is CCN(CC)S(=O)(=O)CCC(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-4-(diethylsulfamoyl)butanoate?
The InChIKey is VTKLETMLIBWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-4-11(5-2)16(13,14)7-6-8(10)9(12)15-3/h8H,4-7,10H2,1-3H3.
What are the key properties of methyl 2-amino-4-(diethylsulfamoyl)butanoate?
methyl 2-amino-4-(diethylsulfamoyl)butanoate has a molecular weight of 252.34 g/mol, XLogP of -0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(diethylsulfamoyl)butanoate is sourced from PubChem (CID 57340093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).