2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid

C7H15NO4S — CID 59634236

IUPAC2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-5(2)8-13(11,12)7(3,4)6(9)10/h5,8H,1-4H3,(H,9,10)
InChIKeySHGFKUKWLUEVNL-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.18
Rot. Bonds4

About 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid

2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid (PubChem CID 59634236) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid
PubChem CID59634236
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid
SMILESCC(C)NS(=O)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-5(2)8-13(11,12)7(3,4)6(9)10/h5,8H,1-4H3,(H,9,10)
InChIKeySHGFKUKWLUEVNL-UHFFFAOYSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methanesulfonamidopropanoic acid
CID 13443844
2-Ethanesulfonamidopropanoic acid
CID 16228507
1-aminoethyl-N-1-carboxyethyl sulfonamidate
CID 44405137
N-(Methylsulfonyl)-L-alanine
CID 7446978
2-(Butane-1-sulfonamido)propanoic acid
CID 4961700
2-(Propane-1-sulfonamido)propanoic acid
CID 16226752
3-Ethanesulfonamidopropanoic acid
CID 16228229
3-(4,4,4-Trifluorobutan-2-ylsulfamoyl)propanoic acid
CID 105928918
2-(4,4,4-Trifluorobutan-2-ylsulfamoyl)propanoic acid
CID 105928926
2-(3-Fluoropropylsulfonylamino)propanoic acid
CID 120082199
(2R)-2-(3-fluoropropylsulfonylamino)propanoic acid
CID 120085819
(2S)-2-(3-fluoropropylsulfonylamino)propanoic acid
CID 120086332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid (CID 59634236) is 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid is CC(C)NS(=O)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid?
The InChIKey is SHGFKUKWLUEVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-5(2)8-13(11,12)7(3,4)6(9)10/h5,8H,1-4H3,(H,9,10).
What are the key properties of 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid?
2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 59634236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).