2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid

C10H17NO5S — CID 64603931

IUPAC2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid
SMILESCC(C)(C(=O)N1CC(CC(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyZIHMVYCFLFBLPK-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.26
Rot. Bonds4

About 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid

2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid (PubChem CID 64603931) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid
PubChem CID64603931
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid
SMILESCC(C)(C(=O)N1CC(CC(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyZIHMVYCFLFBLPK-UHFFFAOYSA-N
XLogP-0.26
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid (CID 64603931) is 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid is CC(C)(C(=O)N1CC(CC(=O)O)C1)S(C)(=O)=O.
What is the InChIKey of 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid?
The InChIKey is ZIHMVYCFLFBLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-10(2,17(3,15)16)9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid?
2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid has a molecular weight of 263.31 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-2-methylsulfonylpropanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).