3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid

C10H19NO5S — CID 102860949

IUPAC3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C10H19NO5S/c12-7-2-6-11(9-3-1-4-9)17(15,16)8-5-10(13)14/h9,12H,1-8H2,(H,13,14)
InChIKeyHEXIDOHJHFMAAD-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.03
Rot. Bonds8

About 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid

3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid (PubChem CID 102860949) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
PubChem CID102860949
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C10H19NO5S/c12-7-2-6-11(9-3-1-4-9)17(15,16)8-5-10(13)14/h9,12H,1-8H2,(H,13,14)
InChIKeyHEXIDOHJHFMAAD-UHFFFAOYSA-N
XLogP0.03
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid
CID 54876206
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 102861399
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958952
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid (CID 102860949) is 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
The InChIKey is HEXIDOHJHFMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c12-7-2-6-11(9-3-1-4-9)17(15,16)8-5-10(13)14/h9,12H,1-8H2,(H,13,14).
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 102860949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).