ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate

C11H16N2O4S — CID 22843757

IUPACethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(16)8-5-18-6-13(8)10(15)7-3-4-9(14)12-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-,8?/m0/s1
InChIKeyHGMOYCRECBXXPV-JAMMHHFISA-N
MW272.33 g/mol
LogP-0.27
Rot. Bonds3

About ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate

ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate (PubChem CID 22843757) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
PubChem CID22843757
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C1CSCN1C(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(16)8-5-18-6-13(8)10(15)7-3-4-9(14)12-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-,8?/m0/s1
InChIKeyHGMOYCRECBXXPV-JAMMHHFISA-N
XLogP-0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate (CID 22843757) is ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate is CCOC(=O)C1CSCN1C(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
The InChIKey is HGMOYCRECBXXPV-JAMMHHFISA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-17-11(16)8-5-18-6-13(8)10(15)7-3-4-9(14)12-7/h7-8H,2-6H2,1H3,(H,12,14)/t7-,8?/m0/s1.
What are the key properties of ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate?
ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate has a molecular weight of 272.33 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 22843757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).