1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid

C9H15NO5S — CID 115910174

IUPAC1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid
SMILESCCS(=O)(=O)CC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H15NO5S/c1-2-16(14,15)6-7(11)10-9(8(12)13)4-3-5-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeySAEUEZNWNJWDDC-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.46
Rot. Bonds5

About 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid

1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 115910174) has the molecular formula C9H15NO5S and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid
PubChem CID115910174
Molecular FormulaC9H15NO5S
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid
SMILESCCS(=O)(=O)CC(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C9H15NO5S/c1-2-16(14,15)6-7(11)10-9(8(12)13)4-3-5-9/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeySAEUEZNWNJWDDC-UHFFFAOYSA-N
XLogP-0.46
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[(2-tert-butylsulfonylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120512776
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
N-[1-(aminomethyl)cyclopentyl]-2-ethylsulfonylacetamide
CID 119566982
1-[3-(ethylamino)butanoylamino]cyclobutane-1-carboxylic acid
CID 81161523
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-[[2-(3-ethylsulfonylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120531000
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid (CID 115910174) is 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid is CCS(=O)(=O)CC(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is SAEUEZNWNJWDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5S/c1-2-16(14,15)6-7(11)10-9(8(12)13)4-3-5-9/h2-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylsulfonylacetyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115910174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).