ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate

C8H13NO3S — CID 21297223

IUPACethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCCOC(=O)CCN1CSCC1=O
InChIInChI=1S/C8H13NO3S/c1-2-12-8(11)3-4-9-6-13-5-7(9)10/h2-6H2,1H3
InChIKeyOUKKBPUMDDNBLF-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.47
Rot. Bonds4

About ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate

ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate (PubChem CID 21297223) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate
PubChem CID21297223
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Nameethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCCOC(=O)CCN1CSCC1=O
InChIInChI=1S/C8H13NO3S/c1-2-12-8(11)3-4-9-6-13-5-7(9)10/h2-6H2,1H3
InChIKeyOUKKBPUMDDNBLF-UHFFFAOYSA-N
XLogP0.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Thiazolidinedione, 3-[4-(acetyloxy)butyl]-
CID 50986324
Ethyl 3-butyl-4-oxo-2-thioxo-1,3-thiazolane-5-carboxylate
CID 129707102
Ethyl 3-ethyl-4-oxo-2-thioxo-1,3-thiazolane-5-carboxylate
CID 129707142
1-[2-[(Ethoxycarbonyl)methylthio]ethyl]-2-pyrrolidinone
CID 59747000
Methyl 2-(3-acetyl-2-methyl-1,3-thiazolidin-2-yl)acetate
CID 21812814
1-[2-[(Ethoxycarbonyl)methylthio]propyl]-2-pyrrolidinone
CID 129807225
Methyl 3-(1,3-thiazolidin-3-yl)propanoate
CID 14941164
Methyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
CID 14941168
(3-Methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-3-yl)methyl acetate
CID 21161699
(7-Oxo-4-thia-1-azabicyclo[3.2.0]heptan-3-yl)methyl acetate
CID 21161729
Methyl 3-(2,4-dioxothiazolidin-3-yl)propanoate
CID 28940057
Ethyl 3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanoate
CID 43365426

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
The IUPAC name of ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate (CID 21297223) is ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate is CCOC(=O)CCN1CSCC1=O.
What is the InChIKey of ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
The InChIKey is OUKKBPUMDDNBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-12-8(11)3-4-9-6-13-5-7(9)10/h2-6H2,1H3.
What are the key properties of ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate?
ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate has a molecular weight of 203.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-oxo-1,3-thiazolidin-3-yl)propanoate is sourced from PubChem (CID 21297223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).