3-[cyclopropyl(methyl)sulfamoyl]propanoic acid

C7H13NO4S — CID 43264864

IUPAC3-[cyclopropyl(methyl)sulfamoyl]propanoic acid
SMILESCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H13NO4S/c1-8(6-2-3-6)13(11,12)5-4-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeySQFQXFQHTSJGDZ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds5

About 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid

3-[cyclopropyl(methyl)sulfamoyl]propanoic acid (PubChem CID 43264864) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)sulfamoyl]propanoic acid
PubChem CID43264864
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-[cyclopropyl(methyl)sulfamoyl]propanoic acid
SMILESCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C7H13NO4S/c1-8(6-2-3-6)13(11,12)5-4-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeySQFQXFQHTSJGDZ-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid (CID 43264864) is 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid is CN(C1CC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is SQFQXFQHTSJGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-8(6-2-3-6)13(11,12)5-4-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid?
3-[cyclopropyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43264864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).