4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid

C10H20N2O4S — CID 114805546

IUPAC4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H20N2O4S/c1-8(2)12(7-3-4-10(13)14)17(15,16)11-9-5-6-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyDWSIKLNFXUYMIA-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds8

About 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid

4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid (PubChem CID 114805546) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid
PubChem CID114805546
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H20N2O4S/c1-8(2)12(7-3-4-10(13)14)17(15,16)11-9-5-6-9/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyDWSIKLNFXUYMIA-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid (CID 114805546) is 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)S(=O)(=O)NC1CC1.
What is the InChIKey of 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is DWSIKLNFXUYMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)12(7-3-4-10(13)14)17(15,16)11-9-5-6-9/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid?
4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 114805546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).