(2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate

C10H11NO3S — CID 174380511

IUPAC(2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate
SMILESCCC(=O)ON1CC(c2ccsc2)C1=O
InChIInChI=1S/C10H11NO3S/c1-2-9(12)14-11-5-8(10(11)13)7-3-4-15-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyVZQQJPJKFKJBMD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.54
Rot. Bonds3

About (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate

(2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate (PubChem CID 174380511) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate.

Molecular Properties

Compound Name(2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate
PubChem CID174380511
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate
SMILESCCC(=O)ON1CC(c2ccsc2)C1=O
InChIInChI=1S/C10H11NO3S/c1-2-9(12)14-11-5-8(10(11)13)7-3-4-15-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyVZQQJPJKFKJBMD-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate?
The IUPAC name of (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate (CID 174380511) is (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate.
What is the SMILES notation for (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate?
The canonical SMILES for (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate is CCC(=O)ON1CC(c2ccsc2)C1=O.
What is the InChIKey of (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate?
The InChIKey is VZQQJPJKFKJBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-2-9(12)14-11-5-8(10(11)13)7-3-4-15-6-7/h3-4,6,8H,2,5H2,1H3.
What are the key properties of (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate?
(2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate has a molecular weight of 225.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-thiophen-3-ylazetidin-1-yl) propanoate is sourced from PubChem (CID 174380511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).