4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid

C11H19NO7S — CID 115291944

IUPAC4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H19NO7S/c1-2-19-9(13)3-8-20(16,17)12-11(10(14)15)4-6-18-7-5-11/h12H,2-8H2,1H3,(H,14,15)
InChIKeyBCZBRILEKJIBGZ-UHFFFAOYSA-N
MW309.34 g/mol
LogP-0.51
Rot. Bonds7

About 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid

4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid (PubChem CID 115291944) has the molecular formula C11H19NO7S and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
PubChem CID115291944
Molecular FormulaC11H19NO7S
Molecular Weight309.34 g/mol
Exact Mass309.09
IUPAC Name4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
SMILESCCOC(=O)CCS(=O)(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H19NO7S/c1-2-19-9(13)3-8-20(16,17)12-11(10(14)15)4-6-18-7-5-11/h12H,2-8H2,1H3,(H,14,15)
InChIKeyBCZBRILEKJIBGZ-UHFFFAOYSA-N
XLogP-0.51
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
4-methyl-1-(propylsulfonylamino)cyclohexane-1-carboxylic acid
CID 43163311
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
4-hydrazinyloxane-4-carboxylic acid
CID 154814519
4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylic acid
CID 114991085
ethyl 3-[(3-aminocyclobutyl)sulfamoyl]propanoate
CID 61459369
2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
(2R)-2-[(3-ethoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 78972767

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid (CID 115291944) is 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid is CCOC(=O)CCS(=O)(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
The InChIKey is BCZBRILEKJIBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO7S/c1-2-19-9(13)3-8-20(16,17)12-11(10(14)15)4-6-18-7-5-11/h12H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid?
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of -0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).