2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid

C11H21NO6S — CID 62818553

IUPAC2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H21NO6S/c1-5-12(11(2,3)10(14)15)19(16,17)8-6-7-9(13)18-4/h5-8H2,1-4H3,(H,14,15)
InChIKeyGBJXHNJDUUOACU-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.45
Rot. Bonds8

About 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid

2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 62818553) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid
PubChem CID62818553
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C11H21NO6S/c1-5-12(11(2,3)10(14)15)19(16,17)8-6-7-9(13)18-4/h5-8H2,1-4H3,(H,14,15)
InChIKeyGBJXHNJDUUOACU-UHFFFAOYSA-N
XLogP0.45
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid
CID 62818377
2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62818554
methyl 4-[butan-2-yl(methyl)sulfamoyl]butanoate
CID 55139195
methyl 4-[1-(dimethylamino)propan-2-yl-ethylsulfamoyl]butanoate
CID 103187968
methyl 4-[cyclopentyl(ethyl)sulfamoyl]butanoate
CID 54951967
methyl 4-[(3-amino-3-sulfanylidenepropyl)-ethylsulfamoyl]butanoate
CID 54992633
methyl 4-[(4-ethylcyclohexyl)-methylsulfamoyl]butanoate
CID 61460515
methyl 4-[azetidin-3-yl(methyl)sulfamoyl]butanoate
CID 66185019
2-(N-(4-methoxy-4-oxobutyl)sulfonylanilino)acetic acid
CID 61457220
2-[(2-amino-2-oxoethyl)-(4-methoxy-4-oxobutyl)sulfonylamino]acetic acid
CID 107435713
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate
CID 43617881

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid (CID 62818553) is 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(=O)(=O)CCCC(=O)OC.
What is the InChIKey of 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is GBJXHNJDUUOACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-5-12(11(2,3)10(14)15)19(16,17)8-6-7-9(13)18-4/h5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid?
2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 295.36 g/mol, XLogP of 0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-4-oxobutyl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).