2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid

C11H19NO6S — CID 81164883

IUPAC2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
SMILESCCOC(=O)CS(=O)(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C11H19NO6S/c1-2-18-10(15)7-19(16,17)12-8-11(4-3-5-11)6-9(13)14/h12H,2-8H2,1H3,(H,13,14)
InChIKeyUKAYXLXBZRLSNX-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.11
Rot. Bonds8

About 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid

2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81164883) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
PubChem CID81164883
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
SMILESCCOC(=O)CS(=O)(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C11H19NO6S/c1-2-18-10(15)7-19(16,17)12-8-11(4-3-5-11)6-9(13)14/h12H,2-8H2,1H3,(H,13,14)
InChIKeyUKAYXLXBZRLSNX-UHFFFAOYSA-N
XLogP0.11
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]acetate
CID 115455371
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 82838840
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504
2-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]acetic acid
CID 114755967
methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid (CID 81164883) is 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid is CCOC(=O)CS(=O)(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is UKAYXLXBZRLSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-2-18-10(15)7-19(16,17)12-8-11(4-3-5-11)6-9(13)14/h12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).