2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid

C10H19NO5S — CID 102657755

IUPAC2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
SMILESCC1(OCC(=O)O)CN(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO5S/c1-9(2,3)17(14,15)11-6-10(4,7-11)16-5-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyKDPWRFDEINEAOV-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.29
Rot. Bonds4

About 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid

2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid (PubChem CID 102657755) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
PubChem CID102657755
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid
SMILESCC1(OCC(=O)O)CN(S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO5S/c1-9(2,3)17(14,15)11-6-10(4,7-11)16-5-8(12)13/h5-7H2,1-4H3,(H,12,13)
InChIKeyKDPWRFDEINEAOV-UHFFFAOYSA-N
XLogP0.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]oxyacetic acid
CID 102657711
2-[1-(diethylsulfamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657723
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-(2,5-dimethylphenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657783
2-[1-(3,5-dichlorophenyl)sulfonyl-3-methylazetidin-3-yl]oxyacetic acid
CID 102657796
2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658238
2-[1-(2-amino-3,3-dimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658290
2-[1-[2-(3-amino-3-oxopropyl)sulfonylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659568
2-[3-methyl-1-(2-methylbutan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658447
2-[3-methyl-1-(4-methylcyclohexyl)azetidin-3-yl]oxyacetic acid
CID 102659757
2-[3-methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid (CID 102657755) is 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid is CC1(OCC(=O)O)CN(S(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid?
The InChIKey is KDPWRFDEINEAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-9(2,3)17(14,15)11-6-10(4,7-11)16-5-8(12)13/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid?
2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid has a molecular weight of 265.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylsulfonyl-3-methylazetidin-3-yl)oxyacetic acid is sourced from PubChem (CID 102657755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).