3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid

C7H13NO4S — CID 43361089

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCCS1(=O)=O
InChIInChI=1S/C7H13NO4S/c1-6(5-7(9)10)8-3-2-4-13(8,11)12/h6H,2-5H2,1H3,(H,9,10)
InChIKeyKNMRNFWTFIMURU-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.11
Rot. Bonds3

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid

3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid (PubChem CID 43361089) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
PubChem CID43361089
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCCS1(=O)=O
InChIInChI=1S/C7H13NO4S/c1-6(5-7(9)10)8-3-2-4-13(8,11)12/h6H,2-5H2,1H3,(H,9,10)
InChIKeyKNMRNFWTFIMURU-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid (CID 43361089) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid is CC(CC(=O)O)N1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
The InChIKey is KNMRNFWTFIMURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-6(5-7(9)10)8-3-2-4-13(8,11)12/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)butanoic acid is sourced from PubChem (CID 43361089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).