3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid

C9H18N2O4S — CID 114805583

IUPAC3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
SMILESCCCNS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-6-10-16(14,15)11(8-3-4-8)7-5-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyAUGBERZZTYXFKW-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.17
Rot. Bonds8

About 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid

3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid (PubChem CID 114805583) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
PubChem CID114805583
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid
SMILESCCCNS(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-6-10-16(14,15)11(8-3-4-8)7-5-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyAUGBERZZTYXFKW-UHFFFAOYSA-N
XLogP0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(2-methoxyethylsulfamoyl)amino]propanoic acid
CID 114814428
[2-aminoethyl(propylsulfamoyl)amino]cyclopropane
CID 114803736
[2-cyanoethyl(propylsulfamoyl)amino]cyclopropane
CID 114807765
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
3-[cyclopropyl(ethylsulfamoyl)amino]propanimidamide
CID 114813476
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
3-[cyclopropyl-[2-oxo-2-(propylamino)ethyl]amino]propanoic acid
CID 60839017
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
2-[butyl(cyclopropyl)sulfamoyl]acetic acid
CID 60950849
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
CID 60830000
4-[[butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid (CID 114805583) is 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid is CCCNS(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid?
The InChIKey is AUGBERZZTYXFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-6-10-16(14,15)11(8-3-4-8)7-5-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid?
3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propylsulfamoyl)amino]propanoic acid is sourced from PubChem (CID 114805583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).