1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid

C7H11NO4S — CID 165442621

IUPAC1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)N2CCC2)CC1
InChIInChI=1S/C7H11NO4S/c9-6(10)7(2-3-7)13(11,12)8-4-1-5-8/h1-5H2,(H,9,10)
InChIKeyAGSTVHFVXYJHDK-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.36
Rot. Bonds3

About 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid

1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid (PubChem CID 165442621) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid
PubChem CID165442621
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(S(=O)(=O)N2CCC2)CC1
InChIInChI=1S/C7H11NO4S/c9-6(10)7(2-3-7)13(11,12)8-4-1-5-8/h1-5H2,(H,9,10)
InChIKeyAGSTVHFVXYJHDK-UHFFFAOYSA-N
XLogP-0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic 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-(Azetidine-1-sulfonyl)-2-methyl-propionic acid
CID 59267979
Methyl 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylate
CID 146441803
4-(Azetidin-1-ylsulfonyl)butanoic acid
CID 43440226
3-(Azetidin-1-ylsulfonyl)propanoic acid
CID 43440227
1-(Dimethylsulfamoyl)cyclopropane-1-carboxylic acid
CID 115019358
1-[Methyl(propan-2-yl)sulfamoyl]cyclopropane-1-carboxylic acid
CID 165442303
1-[Ethyl(methyl)sulfamoyl]cyclopropane-1-carboxylic acid
CID 165442622

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid (CID 165442621) is 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid is O=C(O)C1(S(=O)(=O)N2CCC2)CC1.
What is the InChIKey of 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid?
The InChIKey is AGSTVHFVXYJHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c9-6(10)7(2-3-7)13(11,12)8-4-1-5-8/h1-5H2,(H,9,10).
What are the key properties of 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid?
1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-ylsulfonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 165442621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).