2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid

C11H21NO6S — CID 107474747

IUPAC2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCOC(=O)CS(=O)(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO6S/c1-11(2,3)5-8(10(14)15)6-12-19(16,17)7-9(13)18-4/h8,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyXQHZLUJUEKHBDC-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.22
Rot. Bonds7

About 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid

2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107474747) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107474747
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
SMILESCOC(=O)CS(=O)(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO6S/c1-11(2,3)5-8(10(14)15)6-12-19(16,17)7-9(13)18-4/h8,12H,5-7H2,1-4H3,(H,14,15)
InChIKeyXQHZLUJUEKHBDC-UHFFFAOYSA-N
XLogP0.22
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3-methoxy-3-oxopropyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474833
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]pentanoic acid
CID 65222422
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]acetate
CID 115301229
methyl 2-[2-(2-hydroxyethyl)pentylsulfamoyl]acetate
CID 103836410
(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 107835237
2-[(2,2-dimethylpropanoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473759
methyl 2-(methylsulfamoyl)acetate
CID 61360320
2-[(2-methoxyethylcarbamoylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473771
4,4-dimethyl-2-[(2-methylsulfonylethylcarbamoylamino)methyl]pentanoic acid
CID 107474064
4,4-dimethyl-2-[[(1-methylimidazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 107474612
4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 107474816

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid (CID 107474747) is 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid is COC(=O)CS(=O)(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is XQHZLUJUEKHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-11(2,3)5-8(10(14)15)6-12-19(16,17)7-9(13)18-4/h8,12H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid?
2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 295.36 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107474747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).