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

C6H11NO4S — CID 64618030

IUPAC2-(1-methylsulfonylazetidin-3-yl)acetic acid
SMILESCS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C6H11NO4S/c1-12(10,11)7-3-5(4-7)2-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyPIDVLCUVQMRJTD-UHFFFAOYSA-N
MW193.22 g/mol
LogP-0.65
Rot. Bonds3

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

2-(1-methylsulfonylazetidin-3-yl)acetic acid (PubChem CID 64618030) has the molecular formula C6H11NO4S and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(1-methylsulfonylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylsulfonylazetidin-3-yl)acetic acid
PubChem CID64618030
Molecular FormulaC6H11NO4S
Molecular Weight193.22 g/mol
Exact Mass193.04
IUPAC Name2-(1-methylsulfonylazetidin-3-yl)acetic acid
SMILESCS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C6H11NO4S/c1-12(10,11)7-3-5(4-7)2-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyPIDVLCUVQMRJTD-UHFFFAOYSA-N
XLogP-0.65
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylsulfonylazetidin-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-(Difluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617430
2-[1-(Trifluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64618813
2-[1-(Trifluoromethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681731
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681780
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
3-[Methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid
CID 69261981
2-Methyl-4-[methyl(methylsulfonyl)amino]butanoic acid
CID 145290806
4-[Ethyl(methylsulfonyl)amino]butanoic acid
CID 39242296
4-[Methyl(3-methylbutylsulfonyl)amino]butanoic acid
CID 63855669
2-(1-Tert-butylsulfonylazetidin-3-yl)acetic acid
CID 64616611
2-[1-(3-Methoxy-3-oxopropyl)sulfonylazetidin-3-yl]acetic acid
CID 64616613
2-[1-(2-Methoxyethylsulfonyl)azetidin-3-yl]acetic acid
CID 64616615

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(1-methylsulfonylazetidin-3-yl)acetic acid (CID 64618030) is 2-(1-methylsulfonylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methylsulfonylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methylsulfonylazetidin-3-yl)acetic acid is CS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-(1-methylsulfonylazetidin-3-yl)acetic acid?
The InChIKey is PIDVLCUVQMRJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S/c1-12(10,11)7-3-5(4-7)2-6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 2-(1-methylsulfonylazetidin-3-yl)acetic acid?
2-(1-methylsulfonylazetidin-3-yl)acetic acid has a molecular weight of 193.22 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylazetidin-3-yl)acetic acid is sourced from PubChem (CID 64618030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).