methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate

C11H20N2O7S — CID 114465544

IUPACmethyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C11H20N2O7S/c1-18-10(14)5-6-13(8-9-4-3-7-20-9)21(16,17)12-11(15)19-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyKFYGILZUZIDTJG-UHFFFAOYSA-N
MW324.36 g/mol
LogP-0.37
Rot. Bonds7

About methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 114465544) has the molecular formula C11H20N2O7S and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID114465544
Molecular FormulaC11H20N2O7S
Molecular Weight324.36 g/mol
Exact Mass324.10
IUPAC Namemethyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)S(=O)(=O)NC(=O)OC
InChIInChI=1S/C11H20N2O7S/c1-18-10(14)5-6-13(8-9-4-3-7-20-9)21(16,17)12-11(15)19-2/h9H,3-8H2,1-2H3,(H,12,15)
InChIKeyKFYGILZUZIDTJG-UHFFFAOYSA-N
XLogP-0.37
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[cyclopropylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate
CID 114383270
methyl 3-[tert-butylsulfonyl(oxolan-2-ylmethyl)amino]propanoate
CID 115536200
methyl 3-[2-ethoxyethylsulfonyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964117
methyl 3-[oxolan-2-ylmethyl(propan-2-yl)amino]propanoate
CID 78960585
methyl 3-[methyl(oxan-2-ylmethyl)amino]propanoate
CID 61233938
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate (CID 114465544) is methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CC1CCCO1)S(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is KFYGILZUZIDTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O7S/c1-18-10(14)5-6-13(8-9-4-3-7-20-9)21(16,17)12-11(15)19-2/h9H,3-8H2,1-2H3,(H,12,15).
What are the key properties of methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 324.36 g/mol, XLogP of -0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methoxycarbonylsulfamoyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 114465544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).