ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate

C11H19NO3S — CID 59555282

IUPACethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate
SMILESCCOC(=O)C(C)C1SC(C)(C)N(C)C1=O
InChIInChI=1S/C11H19NO3S/c1-6-15-10(14)7(2)8-9(13)12(5)11(3,4)16-8/h7-8H,6H2,1-5H3
InChIKeyNSTUXWPTUXSYNN-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.50
Rot. Bonds3

About ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate

ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate (PubChem CID 59555282) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate
PubChem CID59555282
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Nameethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate
SMILESCCOC(=O)C(C)C1SC(C)(C)N(C)C1=O
InChIInChI=1S/C11H19NO3S/c1-6-15-10(14)7(2)8-9(13)12(5)11(3,4)16-8/h7-8H,6H2,1-5H3
InChIKeyNSTUXWPTUXSYNN-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate?
The IUPAC name of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate (CID 59555282) is ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate.
What is the SMILES notation for ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate?
The canonical SMILES for ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate is CCOC(=O)C(C)C1SC(C)(C)N(C)C1=O.
What is the InChIKey of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate?
The InChIKey is NSTUXWPTUXSYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-6-15-10(14)7(2)8-9(13)12(5)11(3,4)16-8/h7-8H,6H2,1-5H3.
What are the key properties of ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate?
ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate has a molecular weight of 245.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,3-trimethyl-4-oxo-1,3-thiazolidin-5-yl)propanoate is sourced from PubChem (CID 59555282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).