(4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one

C10H14F2N2O3 — CID 10083336

IUPAC(4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one
SMILESO=C1C[C@@H]([C@@H](O)C(F)(F)C(=O)N2CCCC2)N1
InChIInChI=1S/C10H14F2N2O3/c11-10(12,8(16)6-5-7(15)13-6)9(17)14-3-1-2-4-14/h6,8,16H,1-5H2,(H,13,15)/t6-,8+/m0/s1
InChIKeyBGOCFLCGLGQOFJ-POYBYMJQSA-N
MW248.23 g/mol
LogP-0.51
Rot. Bonds3

About (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one

(4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one (PubChem CID 10083336) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one
PubChem CID10083336
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name(4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one
SMILESO=C1C[C@@H]([C@@H](O)C(F)(F)C(=O)N2CCCC2)N1
InChIInChI=1S/C10H14F2N2O3/c11-10(12,8(16)6-5-7(15)13-6)9(17)14-3-1-2-4-14/h6,8,16H,1-5H2,(H,13,15)/t6-,8+/m0/s1
InChIKeyBGOCFLCGLGQOFJ-POYBYMJQSA-N
XLogP-0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one?
The IUPAC name of (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one (CID 10083336) is (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one.
What is the SMILES notation for (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one?
The canonical SMILES for (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one is O=C1C[C@@H]([C@@H](O)C(F)(F)C(=O)N2CCCC2)N1.
What is the InChIKey of (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one?
The InChIKey is BGOCFLCGLGQOFJ-POYBYMJQSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c11-10(12,8(16)6-5-7(15)13-6)9(17)14-3-1-2-4-14/h6,8,16H,1-5H2,(H,13,15)/t6-,8+/m0/s1.
What are the key properties of (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one?
(4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one has a molecular weight of 248.23 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-2,2-difluoro-1-hydroxy-3-oxo-3-pyrrolidin-1-ylpropyl]azetidin-2-one is sourced from PubChem (CID 10083336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).