2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate

C9H13NO5S — CID 139831688

IUPAC2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate
SMILESCOCCOC(=O)CCC1SC(=O)NC1=O
InChIInChI=1S/C9H13NO5S/c1-14-4-5-15-7(11)3-2-6-8(12)10-9(13)16-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyJXLNIDBPAOSMQA-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.31
Rot. Bonds6

About 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate

2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate (PubChem CID 139831688) has the molecular formula C9H13NO5S and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate
PubChem CID139831688
Molecular FormulaC9H13NO5S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate
SMILESCOCCOC(=O)CCC1SC(=O)NC1=O
InChIInChI=1S/C9H13NO5S/c1-14-4-5-15-7(11)3-2-6-8(12)10-9(13)16-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyJXLNIDBPAOSMQA-UHFFFAOYSA-N
XLogP0.31
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione
CID 22961925
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
2-methoxyethyl 5-methoxypentanoate
CID 58454735
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599
2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 21356677
3-(6-methoxy-3-oxo-4H-1,4-benzothiazin-2-yl)propanoic acid
CID 84640451
2-methoxyethyl 2-[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethylchromen-6-yl]oxyacetate
CID 19822219
2-methoxyethyl 4-(methylamino)-4-oxobutanoate
CID 159443764
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
2-methoxyethyl octanoate
CID 14009347
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate?
The IUPAC name of 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate (CID 139831688) is 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate.
What is the SMILES notation for 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate?
The canonical SMILES for 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate is COCCOC(=O)CCC1SC(=O)NC1=O.
What is the InChIKey of 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate?
The InChIKey is JXLNIDBPAOSMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S/c1-14-4-5-15-7(11)3-2-6-8(12)10-9(13)16-6/h6H,2-5H2,1H3,(H,10,12,13).
What are the key properties of 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate?
2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate has a molecular weight of 247.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate is sourced from PubChem (CID 139831688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).