4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid

C12H23NO4S — CID 54876235

IUPAC4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H23NO4S/c1-10(2)7-8-13(11-5-6-11)18(16,17)9-3-4-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyUKTQHXQIIUIPRF-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.69
Rot. Bonds9

About 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid

4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid (PubChem CID 54876235) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid
PubChem CID54876235
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H23NO4S/c1-10(2)7-8-13(11-5-6-11)18(16,17)9-3-4-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyUKTQHXQIIUIPRF-UHFFFAOYSA-N
XLogP1.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.69
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]propanoic acid
CID 61457876
4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
(2S)-2-(1,1-dioxothiazinan-2-yl)-3-methylbutanoic acid
CID 83824321
3-[2-Carboxypropyl(4-sulfopentan-2-yl)amino]butanoic acid
CID 139311383
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685
4-[Methyl(propan-2-yl)sulfamoyl]butanoic acid
CID 28773535
4-[Butyl(ethyl)sulfamoyl]butanoic acid
CID 28773927
4-(Dibutylsulfamoyl)butanoic acid
CID 28982447
4-[Cyclopropyl(ethyl)sulfamoyl]butanoic acid
CID 43264092
3-[Cyclopropyl(ethyl)sulfamoyl]propanoic acid
CID 43264093

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid (CID 54876235) is 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid is CC(C)CCN(C1CC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid?
The InChIKey is UKTQHXQIIUIPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10(2)7-8-13(11-5-6-11)18(16,17)9-3-4-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid?
4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid has a molecular weight of 277.39 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 54876235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).