3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid

C10H22N2O5S — CID 82942955

IUPAC3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid
SMILESCCCOCCCNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H22N2O5S/c1-3-8-17-9-4-6-11-18(15,16)12(2)7-5-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyVYLHTUOOMRLTPE-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.04
Rot. Bonds11

About 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid

3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid (PubChem CID 82942955) has the molecular formula C10H22N2O5S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid
PubChem CID82942955
Molecular FormulaC10H22N2O5S
Molecular Weight282.36 g/mol
Exact Mass282.12
IUPAC Name3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid
SMILESCCCOCCCNS(=O)(=O)N(C)CCC(=O)O
InChIInChI=1S/C10H22N2O5S/c1-3-8-17-9-4-6-11-18(15,16)12(2)7-5-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyVYLHTUOOMRLTPE-UHFFFAOYSA-N
XLogP0.04
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propanoic acid
CID 65685204
3-[2-(2,2-Difluoroethoxy)ethylsulfamoyl-methylamino]propanoic acid
CID 105907985
Methyl 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl-methylamino]propanoate
CID 113462885
3-{[(Dimethylamino)sulfonyl]amino}propanoic acid
CID 3435571
3-Aminopropanoic acid;ethyl 3-aminopropanoate
CID 87305896
3-[Bis(2-methylpropyl)sulfamoylamino]propanoic acid
CID 87891188
3-(Dibutylsulfamoylamino)propanoic acid
CID 87891796
3-(Diethylsulfamoylamino)propanoic acid
CID 28783572
3-(Dipropylsulfamoylamino)propanoic acid
CID 43169479
3-[[Butyl(methyl)sulfamoyl]amino]propanoic acid
CID 43351241
3-(Dipropylsulfamoylamino)-2-methylpropanoic acid
CID 55105020
Ethyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 55206614

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid (CID 82942955) is 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid is CCCOCCCNS(=O)(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid?
The InChIKey is VYLHTUOOMRLTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S/c1-3-8-17-9-4-6-11-18(15,16)12(2)7-5-10(13)14/h11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid?
3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid has a molecular weight of 282.36 g/mol, XLogP of 0.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3-propoxypropylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 82942955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).