3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid

C11H21NO4S — CID 60951410

IUPAC3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(2)5-7-12(10-3-4-10)17(15,16)8-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXTLIZCOWJFEWIR-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds8

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

3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid (PubChem CID 60951410) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
PubChem CID60951410
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid
SMILESCC(C)CCN(C1CC1)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C11H21NO4S/c1-9(2)5-7-12(10-3-4-10)17(15,16)8-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXTLIZCOWJFEWIR-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanoic acid
CID 63857314
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
2-chloro-N-cyclopropyl-N-(3-methylbutyl)ethanesulfonamide
CID 79014657
1-chloro-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 63665355
3-[cyclopropyl(3-methylbutylsulfonyl)amino]propanethioamide
CID 63857330
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
N-(2-bromoethyl)-N-cyclopropyl-3-methylbutane-1-sulfonamide
CID 80667163
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[cyclopropyl-(2-methoxy-2-oxoethyl)sulfonylamino]propanoic acid
CID 61359922
3-[benzyl(cyclopropyl)sulfamoyl]propanoic acid
CID 43578537
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
1-amino-N-cyclopropyl-N-(3-methylbutyl)propane-2-sulfonamide
CID 79013643

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid (CID 60951410) is 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid is CC(C)CCN(C1CC1)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid?
The InChIKey is XTLIZCOWJFEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)5-7-12(10-3-4-10)17(15,16)8-6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid?
3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-methylbutyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 60951410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).