methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate

C9H15N3O5S — CID 104600365

IUPACmethyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCc1ccno1
InChIInChI=1S/C9H15N3O5S/c1-12(6-4-9(13)16-2)18(14,15)11-7-8-3-5-10-17-8/h3,5,11H,4,6-7H2,1-2H3
InChIKeyCIDCCJOSEKVFEC-UHFFFAOYSA-N
MW277.30 g/mol
LogP-0.50
Rot. Bonds7

About methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate

methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate (PubChem CID 104600365) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
PubChem CID104600365
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Namemethyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NCc1ccno1
InChIInChI=1S/C9H15N3O5S/c1-12(6-4-9(13)16-2)18(14,15)11-7-8-3-5-10-17-8/h3,5,11H,4,6-7H2,1-2H3
InChIKeyCIDCCJOSEKVFEC-UHFFFAOYSA-N
XLogP-0.50
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[4-(hydroxymethyl)phenyl]methylsulfamoyl-methylamino]propanoate
CID 107229626
methyl 3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]amino]propanoate
CID 113251862
methyl 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylsulfamoyl]amino]propanoate
CID 103744445
methyl 3-[methyl-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]amino]propanoate
CID 104693950
methyl 2-[methyl(1,2-oxazol-5-ylmethyl)amino]acetate
CID 60670473
methyl 3-[methyl(thiophen-3-ylsulfamoyl)amino]propanoate
CID 66351480
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
methyl 3-[2-(carbamoylamino)ethylsulfamoyl-methylamino]propanoate
CID 83116212
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
methyl 3-[(2,6-difluoro-3-methylphenyl)sulfamoyl-methylamino]propanoate
CID 82798709
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 3-[methyl-[2-(1,3-thiazol-2-yl)propan-2-ylsulfamoyl]amino]propanoate
CID 103731373

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate (CID 104600365) is methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NCc1ccno1.
What is the InChIKey of methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate?
The InChIKey is CIDCCJOSEKVFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-12(6-4-9(13)16-2)18(14,15)11-7-8-3-5-10-17-8/h3,5,11H,4,6-7H2,1-2H3.
What are the key properties of methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate?
methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate has a molecular weight of 277.30 g/mol, XLogP of -0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(1,2-oxazol-5-ylmethylsulfamoyl)amino]propanoate is sourced from PubChem (CID 104600365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).