2-(1-ethylsulfonylazetidin-3-yl)acetic acid

C7H13NO4S — CID 64617015

IUPAC2-(1-ethylsulfonylazetidin-3-yl)acetic acid
SMILESCCS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H13NO4S/c1-2-13(11,12)8-4-6(5-8)3-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyPESHXBKOGNYOGC-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.26
Rot. Bonds4

About 2-(1-ethylsulfonylazetidin-3-yl)acetic acid

2-(1-ethylsulfonylazetidin-3-yl)acetic acid (PubChem CID 64617015) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(1-ethylsulfonylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethylsulfonylazetidin-3-yl)acetic acid
PubChem CID64617015
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-(1-ethylsulfonylazetidin-3-yl)acetic acid
SMILESCCS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C7H13NO4S/c1-2-13(11,12)8-4-6(5-8)3-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyPESHXBKOGNYOGC-UHFFFAOYSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-ethylsulfonylazetidin-3-yl)acetic acid (CID 64617015) is 2-(1-ethylsulfonylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-ethylsulfonylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-ethylsulfonylazetidin-3-yl)acetic acid is CCS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-(1-ethylsulfonylazetidin-3-yl)acetic acid?
The InChIKey is PESHXBKOGNYOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-2-13(11,12)8-4-6(5-8)3-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(1-ethylsulfonylazetidin-3-yl)acetic acid?
2-(1-ethylsulfonylazetidin-3-yl)acetic acid has a molecular weight of 207.25 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylazetidin-3-yl)acetic acid is sourced from PubChem (CID 64617015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).