methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate

C9H18N2O7S — CID 103946910

IUPACmethyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C9H18N2O7S/c1-11(5-4-8(13)17-2)19(15,16)10-6-7(12)9(14)18-3/h7,10,12H,4-6H2,1-3H3
InChIKeyYASVFAAOSGOLTA-UHFFFAOYSA-N
MW298.32 g/mol
LogP-2.15
Rot. Bonds8

About methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate

methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate (PubChem CID 103946910) has the molecular formula C9H18N2O7S and a molecular weight of 298.32 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate
PubChem CID103946910
Molecular FormulaC9H18N2O7S
Molecular Weight298.32 g/mol
Exact Mass298.08
IUPAC Namemethyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C9H18N2O7S/c1-11(5-4-8(13)17-2)19(15,16)10-6-7(12)9(14)18-3/h7,10,12H,4-6H2,1-3H3
InChIKeyYASVFAAOSGOLTA-UHFFFAOYSA-N
XLogP-2.15
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-2.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate with MolForge

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Related Compounds

[(2-Hydroxy-3-methoxy-3-oxopropyl)amino]methyl 3-amino-2-hydroxypropanoate
CID 156849778
Methyl 3-[2-hydroxypropylsulfamoyl(methyl)amino]propanoate
CID 65684133
3-[1,4-Dioxan-2-ylmethylsulfamoyl(methyl)amino]propanoic acid
CID 65684183
3-[2-Hydroxypropylsulfamoyl(methyl)amino]propanoic acid
CID 65684324
Methyl 3-[[(2-hydroxy-3-methoxypropyl)-methylsulfamoyl]-methylamino]propanoate
CID 65684979
3-[[(2-Hydroxy-3-methoxypropyl)-methylsulfamoyl]-methylamino]propanoic acid
CID 65684980
Methyl 3-[3-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 65685404
Methyl 3-[2-(2-hydroxyethoxy)ethylsulfamoyl-methylamino]propanoate
CID 65685767
3-[2-(2-Hydroxyethoxy)ethylsulfamoyl-methylamino]propanoic acid
CID 65685768
Methyl 3-[(2-hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoate
CID 65685979
3-[(2-Hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoic acid
CID 65685980
Methyl 3-[2-hydroxyethylsulfamoyl(methyl)amino]propanoate
CID 65686861

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate (CID 103946910) is methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate?
The InChIKey is YASVFAAOSGOLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O7S/c1-11(5-4-8(13)17-2)19(15,16)10-6-7(12)9(14)18-3/h7,10,12H,4-6H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate?
methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate has a molecular weight of 298.32 g/mol, XLogP of -2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylsulfamoyl]amino]propanoate is sourced from PubChem (CID 103946910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).