(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one

C7H7NO2S — CID 54262037

IUPAC(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
SMILESO=C1N[C@@H](c2cccs2)[C@H]1O
InChIInChI=1S/C7H7NO2S/c9-6-5(8-7(6)10)4-2-1-3-11-4/h1-3,5-6,9H,(H,8,10)/t5-,6+/m0/s1
InChIKeyREEPMXWBVSRGLU-NTSWFWBYSA-N
MW169.21 g/mol
LogP0.28
Rot. Bonds1

About (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one

(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one (PubChem CID 54262037) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
PubChem CID54262037
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one
SMILESO=C1N[C@@H](c2cccs2)[C@H]1O
InChIInChI=1S/C7H7NO2S/c9-6-5(8-7(6)10)4-2-1-3-11-4/h1-3,5-6,9H,(H,8,10)/t5-,6+/m0/s1
InChIKeyREEPMXWBVSRGLU-NTSWFWBYSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one (CID 54262037) is (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one is O=C1N[C@@H](c2cccs2)[C@H]1O.
What is the InChIKey of (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one?
The InChIKey is REEPMXWBVSRGLU-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-6-5(8-7(6)10)4-2-1-3-11-4/h1-3,5-6,9H,(H,8,10)/t5-,6+/m0/s1.
What are the key properties of (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one?
(3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one has a molecular weight of 169.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-hydroxy-4-thiophen-2-ylazetidin-2-one is sourced from PubChem (CID 54262037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).