2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid

C9H17NO5S — CID 79846124

IUPAC2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
SMILESCOCCS(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C9H17NO5S/c1-15-5-6-16(13,14)10-9(3-2-4-9)7-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyLKTVRVVTAUHYFL-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.05
Rot. Bonds7

About 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid

2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid (PubChem CID 79846124) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
PubChem CID79846124
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Name2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
SMILESCOCCS(=O)(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C9H17NO5S/c1-15-5-6-16(13,14)10-9(3-2-4-9)7-8(11)12/h10H,2-7H2,1H3,(H,11,12)
InChIKeyLKTVRVVTAUHYFL-UHFFFAOYSA-N
XLogP-0.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
2-[1-[(4-fluorophenyl)methylsulfonylamino]cyclobutyl]acetic acid
CID 79845804
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 114293958
4-(2-methoxyethylsulfonylamino)oxane-4-carboxylic acid
CID 115291993
methyl 2-[1-[2-(2,2-difluorocyclopropyl)oxyethylsulfonylamino]cyclopentyl]acetate
CID 126820884
2-[1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclobutyl]acetic acid
CID 79846527
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-(sulfamoylamino)cyclohexyl]acetic acid
CID 114958917
2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
CID 64700173

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid (CID 79846124) is 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid is COCCS(=O)(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid?
The InChIKey is LKTVRVVTAUHYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-15-5-6-16(13,14)10-9(3-2-4-9)7-8(11)12/h10H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid?
2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid has a molecular weight of 251.30 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79846124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).