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

C10H19NO5S — CID 102860989

IUPAC2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C10H19NO5S/c1-8(10(13)14)17(15,16)11(6-3-7-12)9-4-2-5-9/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyJQSBNHUQMHAKMB-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.03
Rot. Bonds7

About 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid

2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid (PubChem CID 102860989) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
PubChem CID102860989
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C10H19NO5S/c1-8(10(13)14)17(15,16)11(6-3-7-12)9-4-2-5-9/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyJQSBNHUQMHAKMB-UHFFFAOYSA-N
XLogP0.03
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

2-[2-hydroxyethyl-(1-methylpiperidin-4-yl)sulfamoyl]propanoic acid
CID 61458209
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985
2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide
CID 102862554
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
CID 66213666
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid (CID 102860989) is 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
The InChIKey is JQSBNHUQMHAKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(10(13)14)17(15,16)11(6-3-7-12)9-4-2-5-9/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid?
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid has a molecular weight of 265.33 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 102860989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).