2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid

C11H20N2O4S — CID 64618624

IUPAC2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid
SMILESCC1CCCCN1S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4S/c1-9-4-2-3-5-13(9)18(16,17)12-7-10(8-12)6-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyUTLOQAJZPOQBPF-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.51
Rot. Bonds4

About 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid

2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid (PubChem CID 64618624) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid
PubChem CID64618624
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid
SMILESCC1CCCCN1S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4S/c1-9-4-2-3-5-13(9)18(16,17)12-7-10(8-12)6-11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyUTLOQAJZPOQBPF-UHFFFAOYSA-N
XLogP0.51
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid (CID 64618624) is 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid is CC1CCCCN1S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid?
The InChIKey is UTLOQAJZPOQBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9-4-2-3-5-13(9)18(16,17)12-7-10(8-12)6-11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid?
2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid is sourced from PubChem (CID 64618624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).