2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid

C11H18N2O4S — CID 65266303

IUPAC2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
SMILESCC(C)(NS(=O)(=O)c1cc[nH]c1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-10(2,9(14)15)11(3,4)13-18(16,17)8-5-6-12-7-8/h5-7,12-13H,1-4H3,(H,14,15)
InChIKeyBYVMVLIBQKUSJF-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.18
Rot. Bonds5

About 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid

2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid (PubChem CID 65266303) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
PubChem CID65266303
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
SMILESCC(C)(NS(=O)(=O)c1cc[nH]c1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-10(2,9(14)15)11(3,4)13-18(16,17)8-5-6-12-7-8/h5-7,12-13H,1-4H3,(H,14,15)
InChIKeyBYVMVLIBQKUSJF-UHFFFAOYSA-N
XLogP1.18
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265968
3-[(4-bromo-3-methylphenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266499
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266269
3-[(5-bromothiophen-2-yl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266493
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265927
3-hydroxy-2-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 43294291
N-(3-hydroxy-2,2-dimethylpropyl)-1H-pyrrole-3-sulfonamide
CID 115363011
N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-3-sulfonamide
CID 106143797
3-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43294331
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
N-(2-hydroxyethyl)-1H-pyrrole-3-sulfonamide
CID 43501955
2-methyl-2-(1H-pyrrol-3-ylsulfonyl)propan-1-ol
CID 116855267

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid (CID 65266303) is 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid is CC(C)(NS(=O)(=O)c1cc[nH]c1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid?
The InChIKey is BYVMVLIBQKUSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-10(2,9(14)15)11(3,4)13-18(16,17)8-5-6-12-7-8/h5-7,12-13H,1-4H3,(H,14,15).
What are the key properties of 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid?
2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid has a molecular weight of 274.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(1H-pyrrol-3-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 65266303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).