1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid

C8H15NO5S — CID 81164087

IUPAC1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESCOCCS(=O)(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C8H15NO5S/c1-14-5-6-15(12,13)9-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyYMMDGDVMHPJWHH-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.44
Rot. Bonds6

About 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid

1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid (PubChem CID 81164087) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
PubChem CID81164087
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
SMILESCOCCS(=O)(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C8H15NO5S/c1-14-5-6-15(12,13)9-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKeyYMMDGDVMHPJWHH-UHFFFAOYSA-N
XLogP-0.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
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CID 55174686
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
CID 79846124
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
4-[(3-methoxy-3-oxopropyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291951
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid (CID 81164087) is 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid is COCCS(=O)(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is YMMDGDVMHPJWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-14-5-6-15(12,13)9-8(7(10)11)3-2-4-8/h9H,2-6H2,1H3,(H,10,11).
What are the key properties of 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid?
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).