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

C8H13NO5S — CID 64605399

IUPAC2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid
SMILESCS(=O)(=O)CC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H13NO5S/c1-15(13,14)5-7(10)9-3-6(4-9)2-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyZCXZBJFPCVUDDT-UHFFFAOYSA-N
MW235.26 g/mol
LogP-1.04
Rot. Bonds4

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

2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid (PubChem CID 64605399) has the molecular formula C8H13NO5S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid
PubChem CID64605399
Molecular FormulaC8H13NO5S
Molecular Weight235.26 g/mol
Exact Mass235.05
IUPAC Name2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid
SMILESCS(=O)(=O)CC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H13NO5S/c1-15(13,14)5-7(10)9-3-6(4-9)2-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyZCXZBJFPCVUDDT-UHFFFAOYSA-N
XLogP-1.04
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
CID 64603746
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
CID 79555425
2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
CID 64605378
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylsulfonylethanone
CID 79030084
2-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]acetic acid
CID 64604611
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
2-[1-(2-propan-2-ylsulfonylacetyl)piperidin-4-yl]acetic acid
CID 119178526
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
1-[3-(methylamino)pyrrolidin-1-yl]-2-methylsulfonylethanone
CID 81466280
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid (CID 64605399) is 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid is CS(=O)(=O)CC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid?
The InChIKey is ZCXZBJFPCVUDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5S/c1-15(13,14)5-7(10)9-3-6(4-9)2-8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid?
2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid has a molecular weight of 235.26 g/mol, XLogP of -1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).