[(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate

C9H9NO3S — CID 15232075

IUPAC[(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)N[C@H]1c1ccsc1
InChIInChI=1S/C9H9NO3S/c1-5(11)13-8-7(10-9(8)12)6-2-3-14-4-6/h2-4,7-8H,1H3,(H,10,12)/t7-,8+/m0/s1
InChIKeyDQFCIWLMXPJJSK-JGVFFNPUSA-N
MW211.24 g/mol
LogP0.85
Rot. Bonds2

About [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate

[(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate (PubChem CID 15232075) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate
PubChem CID15232075
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name[(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)N[C@H]1c1ccsc1
InChIInChI=1S/C9H9NO3S/c1-5(11)13-8-7(10-9(8)12)6-2-3-14-4-6/h2-4,7-8H,1H3,(H,10,12)/t7-,8+/m0/s1
InChIKeyDQFCIWLMXPJJSK-JGVFFNPUSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate?
The IUPAC name of [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate (CID 15232075) is [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate.
What is the SMILES notation for [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate?
The canonical SMILES for [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate is CC(=O)O[C@H]1C(=O)N[C@H]1c1ccsc1.
What is the InChIKey of [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate?
The InChIKey is DQFCIWLMXPJJSK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H9NO3S/c1-5(11)13-8-7(10-9(8)12)6-2-3-14-4-6/h2-4,7-8H,1H3,(H,10,12)/t7-,8+/m0/s1.
What are the key properties of [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate?
[(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate has a molecular weight of 211.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-2-oxo-4-thiophen-3-ylazetidin-3-yl] acetate is sourced from PubChem (CID 15232075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).