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

C8H13NO3S — CID 43424240

IUPACethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCCOC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H13NO3S/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h2-6H2,1H3
InChIKeyMVOOIGPBLDRIIW-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.11
Rot. Bonds4

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

ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate (PubChem CID 43424240) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
PubChem CID43424240
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Nameethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate
SMILESCCOC(=O)CCN1CCSC1=O
InChIInChI=1S/C8H13NO3S/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h2-6H2,1H3
InChIKeyMVOOIGPBLDRIIW-UHFFFAOYSA-N
XLogP1.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
The IUPAC name of ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate (CID 43424240) is ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate is CCOC(=O)CCN1CCSC1=O.
What is the InChIKey of ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
The InChIKey is MVOOIGPBLDRIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-12-7(10)3-4-9-5-6-13-8(9)11/h2-6H2,1H3.
What are the key properties of ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate?
ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate has a molecular weight of 203.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate is sourced from PubChem (CID 43424240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).