2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid

C7H11NO4S — CID 117029842

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCCS1(=O)=O
InChIInChI=1S/C7H11NO4S/c9-7(10)5-4-6(5)8-2-1-3-13(8,11)12/h5-6H,1-4H2,(H,9,10)
InChIKeyYHIKYQVVPNAYCD-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.50
Rot. Bonds2

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid

2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 117029842) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid
PubChem CID117029842
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1N1CCCS1(=O)=O
InChIInChI=1S/C7H11NO4S/c9-7(10)5-4-6(5)8-2-1-3-13(8,11)12/h5-6H,1-4H2,(H,9,10)
InChIKeyYHIKYQVVPNAYCD-UHFFFAOYSA-N
XLogP-0.50
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid (CID 117029842) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1N1CCCS1(=O)=O.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YHIKYQVVPNAYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c9-7(10)5-4-6(5)8-2-1-3-13(8,11)12/h5-6H,1-4H2,(H,9,10).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117029842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).