ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate

C8H14N2O3S — CID 70296848

IUPACethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1NCCS1
InChIInChI=1S/C8H14N2O3S/c1-2-13-6(11)5-10-7(12)8-9-3-4-14-8/h8-9H,2-5H2,1H3,(H,10,12)
InChIKeyLUUSLTXMLCBAKD-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.67
Rot. Bonds4

About ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate

ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate (PubChem CID 70296848) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
PubChem CID70296848
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Nameethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1NCCS1
InChIInChI=1S/C8H14N2O3S/c1-2-13-6(11)5-10-7(12)8-9-3-4-14-8/h8-9H,2-5H2,1H3,(H,10,12)
InChIKeyLUUSLTXMLCBAKD-UHFFFAOYSA-N
XLogP-0.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
The IUPAC name of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate (CID 70296848) is ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate is CCOC(=O)CNC(=O)C1NCCS1.
What is the InChIKey of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
The InChIKey is LUUSLTXMLCBAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-13-6(11)5-10-7(12)8-9-3-4-14-8/h8-9H,2-5H2,1H3,(H,10,12).
What are the key properties of ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate?
ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate has a molecular weight of 218.28 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate is sourced from PubChem (CID 70296848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).