2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid

C11H21NO6S — CID 62818554

IUPAC2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid
SMILESCCOC(=O)CCS(=O)(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H21NO6S/c1-5-12(11(3,4)10(14)15)19(16,17)8-7-9(13)18-6-2/h5-8H2,1-4H3,(H,14,15)
InChIKeyIZKGVOPYYOFFKM-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.45
Rot. Bonds8

About 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid

2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid (PubChem CID 62818554) has the molecular formula C11H21NO6S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid
PubChem CID62818554
Molecular FormulaC11H21NO6S
Molecular Weight295.36 g/mol
Exact Mass295.11
IUPAC Name2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid
SMILESCCOC(=O)CCS(=O)(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H21NO6S/c1-5-12(11(3,4)10(14)15)19(16,17)8-7-9(13)18-6-2/h5-8H2,1-4H3,(H,14,15)
InChIKeyIZKGVOPYYOFFKM-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-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid
CID 114958849
ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 54998323
ethyl 3-methylsulfonylpropanoate
CID 58565961
ethyl 3-[2-aminoethyl(methyl)sulfamoyl]propanoate
CID 62686433
(2S)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 61459403
ethyl 3-[(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)sulfamoyl]propanoate
CID 54951322
ethyl 3-butylsulfonylpropanoate
CID 42647324
ethyl 3-[2-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 106584509
ethyl 3-[(3-amino-4-methylpentyl)-methylsulfamoyl]propanoate
CID 115317613
benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
CID 64557036

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid (CID 62818554) is 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid is CCOC(=O)CCS(=O)(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is IZKGVOPYYOFFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6S/c1-5-12(11(3,4)10(14)15)19(16,17)8-7-9(13)18-6-2/h5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid?
2-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-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-[(3-ethoxy-3-oxopropyl)sulfonyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).