3-[cyclopropyl(propyl)sulfamoyl]propanoic acid

C9H17NO4S — CID 43270296

IUPAC3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-6-10(8-3-4-8)15(13,14)7-5-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyGCYDTVCOPKZOHB-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.67
Rot. Bonds7

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

3-[cyclopropyl(propyl)sulfamoyl]propanoic acid (PubChem CID 43270296) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
PubChem CID43270296
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-6-10(8-3-4-8)15(13,14)7-5-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyGCYDTVCOPKZOHB-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
CID 60951410
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
CID 114805583
2-[butyl(cyclopropyl)sulfamoyl]acetic acid
CID 60950849
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
CID 43578537
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
2-[cyclopropyl-(3-methoxy-3-oxopropyl)sulfonylamino]acetic acid
CID 54983488
4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid
CID 54876206
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid (CID 43270296) is 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid is CCCN(C1CC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid?
The InChIKey is GCYDTVCOPKZOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-6-10(8-3-4-8)15(13,14)7-5-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid?
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43270296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).