methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate

C9H18N2O6S — CID 114465476

IUPACmethyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H18N2O6S/c1-7(2)17-9(13)10-18(14,15)11(3)6-5-8(12)16-4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyWKTBZLWVEKORMV-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.14
Rot. Bonds6

About methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate

methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate (PubChem CID 114465476) has the molecular formula C9H18N2O6S and a molecular weight of 282.32 g/mol. Its IUPAC name is methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
PubChem CID114465476
Molecular FormulaC9H18N2O6S
Molecular Weight282.32 g/mol
Exact Mass282.09
IUPAC Namemethyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
SMILESCOC(=O)CCN(C)S(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H18N2O6S/c1-7(2)17-9(13)10-18(14,15)11(3)6-5-8(12)16-4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyWKTBZLWVEKORMV-UHFFFAOYSA-N
XLogP-0.14
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
methyl 3-[methyl-[2-(methylamino)propylsulfamoyl]amino]propanoate;hydrochloride
CID 120824389
methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 61072575
methyl 3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]sulfamoyl-methylamino]propanoate
CID 103106859
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
methyl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464124
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664
methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl-methylamino]propanoate;hydrochloride
CID 119983413
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate (CID 114465476) is methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate is COC(=O)CCN(C)S(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate?
The InChIKey is WKTBZLWVEKORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O6S/c1-7(2)17-9(13)10-18(14,15)11(3)6-5-8(12)16-4/h7H,5-6H2,1-4H3,(H,10,13).
What are the key properties of methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate?
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate has a molecular weight of 282.32 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate is sourced from PubChem (CID 114465476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).