2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

C13H19NO4S — CID 61263608

IUPAC2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(C)c(S(=O)(=O)NC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H19NO4S/c1-8-6-9(2)11(10(3)7-8)19(17,18)14-13(4,5)12(15)16/h6-7,14H,1-5H3,(H,15,16)
InChIKeyPWNQWQDQLYQQPD-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid (PubChem CID 61263608) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
PubChem CID61263608
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
SMILESCc1cc(C)c(S(=O)(=O)NC(C)(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H19NO4S/c1-8-6-9(2)11(10(3)7-8)19(17,18)14-13(4,5)12(15)16/h6-7,14H,1-5H3,(H,15,16)
InChIKeyPWNQWQDQLYQQPD-UHFFFAOYSA-N
XLogP1.75
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 141030376
3,3-dimethyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 43468075
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
2-methyl-2-[methyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120518710
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide
CID 110870428
2-[(3,4-difluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263772
N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide
CID 101399324
3-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]cyclobutane-1-carboxylic acid
CID 175777335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid (CID 61263608) is 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid is Cc1cc(C)c(S(=O)(=O)NC(C)(C)C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?
The InChIKey is PWNQWQDQLYQQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-8-6-9(2)11(10(3)7-8)19(17,18)14-13(4,5)12(15)16/h6-7,14H,1-5H3,(H,15,16).
What are the key properties of 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid?
2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid has a molecular weight of 285.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 61263608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).