4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid

C10H18N2O5S — CID 79394848

IUPAC4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O5S/c13-9(12-8-3-4-8)5-6-11-18(16,17)7-1-2-10(14)15/h8,11H,1-7H2,(H,12,13)(H,14,15)
InChIKeyPDSKTIALEXWLBJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.56
Rot. Bonds9

About 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid

4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid (PubChem CID 79394848) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid
PubChem CID79394848
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C10H18N2O5S/c13-9(12-8-3-4-8)5-6-11-18(16,17)7-1-2-10(14)15/h8,11H,1-7H2,(H,12,13)(H,14,15)
InChIKeyPDSKTIALEXWLBJ-UHFFFAOYSA-N
XLogP-0.56
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethylsulfonylamino)-N-cyclopropylbutanamide
CID 79394622
4-[2-(cycloheptylamino)ethylsulfamoyl]butanoic acid
CID 115306585
4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
CID 63826618
4-(2-pyrrolidin-3-ylethylsulfamoyl)butanoic acid
CID 55249778
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
6-[(4-hydroxycyclohexyl)amino]-6-oxohexanoic acid
CID 54867773
N-cyclopropyl-4-(2-piperidin-2-ylethylsulfonylamino)butanamide
CID 79381999
N,N'-dicyclopropylbutanediamide
CID 5225156
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
4-(3-methylsulfanylpropylsulfamoyl)butanoic acid
CID 63965509
4-(3-hydroxybutylsulfamoyl)butanoic acid
CID 64928300
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid (CID 79394848) is 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid?
The InChIKey is PDSKTIALEXWLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c13-9(12-8-3-4-8)5-6-11-18(16,17)7-1-2-10(14)15/h8,11H,1-7H2,(H,12,13)(H,14,15).
What are the key properties of 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid?
4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid has a molecular weight of 278.33 g/mol, XLogP of -0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 79394848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).