2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid

C10H15NO5S — CID 79874495

IUPAC2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C)C(=O)N(C2CCCC2C(=O)O)S1(=O)=O
InChIInChI=1S/C10H15NO5S/c1-10(2)9(14)11(17(10,15)16)7-5-3-4-6(7)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyCFSOELYZFKDHGM-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.19
Rot. Bonds2

About 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid

2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 79874495) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid
PubChem CID79874495
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C)C(=O)N(C2CCCC2C(=O)O)S1(=O)=O
InChIInChI=1S/C10H15NO5S/c1-10(2)9(14)11(17(10,15)16)7-5-3-4-6(7)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyCFSOELYZFKDHGM-UHFFFAOYSA-N
XLogP0.19
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-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

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid (CID 79874495) is 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid is CC1(C)C(=O)N(C2CCCC2C(=O)O)S1(=O)=O.
What is the InChIKey of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is CFSOELYZFKDHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-10(2)9(14)11(17(10,15)16)7-5-3-4-6(7)8(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid?
2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79874495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).