3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid

C9H17NO4S — CID 43569103

IUPAC3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-7(8-3-4-8)10(2)15(13,14)6-5-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyZMBOLEGTTYDJSQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.52
Rot. Bonds6

About 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid

3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid (PubChem CID 43569103) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid
PubChem CID43569103
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid
SMILESCC(C1CC1)N(C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-7(8-3-4-8)10(2)15(13,14)6-5-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyZMBOLEGTTYDJSQ-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60950661
3-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60950822
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]acetic acid
CID 60950823
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 61457876
4-[Cyclopropyl(ethyl)sulfamoyl]butanoic acid
CID 43264092
3-[Cyclopropyl(ethyl)sulfamoyl]propanoic acid
CID 43264093
4-[Cyclopropyl(methyl)sulfamoyl]butanoic acid
CID 43264863
3-[Cyclopropyl(methyl)sulfamoyl]propanoic acid
CID 43264864
3-[Cyclopentyl(methyl)sulfamoyl]propanoic acid
CID 43267081
3-[Propan-2-yl(propyl)sulfamoyl]propanoic acid
CID 43269333
4-[Cyclopropyl(propyl)sulfamoyl]butanoic acid
CID 43270295
3-[Cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid (CID 43569103) is 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid is CC(C1CC1)N(C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid?
The InChIKey is ZMBOLEGTTYDJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7(8-3-4-8)10(2)15(13,14)6-5-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid?
3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(methyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43569103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).