methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate

C11H18N2O4S — CID 14548326

IUPACmethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)CN1CCOCC1
InChIInChI=1S/C11H18N2O4S/c1-16-11(15)9-7-18-8-13(9)10(14)6-12-2-4-17-5-3-12/h9H,2-8H2,1H3
InChIKeyVRDRXYMCDJJOHQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.61
Rot. Bonds3

About methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate

methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 14548326) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate
PubChem CID14548326
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CSCN1C(=O)CN1CCOCC1
InChIInChI=1S/C11H18N2O4S/c1-16-11(15)9-7-18-8-13(9)10(14)6-12-2-4-17-5-3-12/h9H,2-8H2,1H3
InChIKeyVRDRXYMCDJJOHQ-UHFFFAOYSA-N
XLogP-0.61
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate (CID 14548326) is methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate is COC(=O)C1CSCN1C(=O)CN1CCOCC1.
What is the InChIKey of methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is VRDRXYMCDJJOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-11(15)9-7-18-8-13(9)10(14)6-12-2-4-17-5-3-12/h9H,2-8H2,1H3.
What are the key properties of methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate?
methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 274.34 g/mol, XLogP of -0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-morpholin-4-ylacetyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14548326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).