2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid

C7H13NO4S — CID 59267979

IUPAC2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCC1
InChIInChI=1S/C7H13NO4S/c1-7(2,6(9)10)13(11,12)8-4-3-5-8/h3-5H2,1-2H3,(H,9,10)
InChIKeyHTLRJVMIYUSJKO-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds3

About 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid

2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid (PubChem CID 59267979) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid
PubChem CID59267979
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)S(=O)(=O)N1CCC1
InChIInChI=1S/C7H13NO4S/c1-7(2,6(9)10)13(11,12)8-4-3-5-8/h3-5H2,1-2H3,(H,9,10)
InChIKeyHTLRJVMIYUSJKO-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid?
The IUPAC name of 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid (CID 59267979) is 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid is CC(C)(C(=O)O)S(=O)(=O)N1CCC1.
What is the InChIKey of 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid?
The InChIKey is HTLRJVMIYUSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-7(2,6(9)10)13(11,12)8-4-3-5-8/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid?
2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylsulfonyl)-2-methylpropanoic acid is sourced from PubChem (CID 59267979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).