3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid

C8H16N2O6S — CID 114462276

IUPAC3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-6(2)16-8(13)9-17(14,15)10(3)5-4-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyMRWDNCAZPSMRNA-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.23
Rot. Bonds6

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

3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (PubChem CID 114462276) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
PubChem CID114462276
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-6(2)16-8(13)9-17(14,15)10(3)5-4-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyMRWDNCAZPSMRNA-UHFFFAOYSA-N
XLogP-0.23
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[2-hydroxypropylsulfamoyl(methyl)amino]propanoate
CID 65684133
3-[[3-Methoxypropyl(methyl)sulfamoyl]-methylamino]propanoic acid
CID 65685386
Methyl 3-[3-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 65685404
3-[3-Hydroxybutylsulfamoyl(methyl)amino]propanoic acid
CID 65685405
3-[3-Methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 65686258
3-[2-Carbamoyloxyethylsulfamoyl(methyl)amino]propanoic acid
CID 83201898
3-[2-Methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
methyl 3-[[(2S)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate
CID 103883809
methyl 3-[[(2R)-2-hydroxypropyl]sulfamoyl-methylamino]propanoate
CID 103883834
3-[Methyl(2-propan-2-yloxyethylsulfamoyl)amino]propanoic acid
CID 104759116
3-[Cyclopropyl(ethoxycarbonylsulfamoyl)amino]propanoic acid
CID 113588586
3-[Ethoxycarbonylsulfamoyl(propan-2-yl)amino]propanoic acid
CID 113588589

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid (CID 114462276) is 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is CC(C)OC(=O)NS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
The InChIKey is MRWDNCAZPSMRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-6(2)16-8(13)9-17(14,15)10(3)5-4-7(11)12/h6H,4-5H2,1-3H3,(H,9,13)(H,11,12).
What are the key properties of 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid?
3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114462276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).