4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one

C16H18F2N2O4 — CID 129346715

IUPAC4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C1COCCN1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O4/c17-12-2-1-10(5-13(12)18)14-6-11(21)7-20(14)15(22)8-19-3-4-24-9-16(19)23/h1-2,5,11,14,21H,3-4,6-9H2/t11-,14-/m0/s1
InChIKeyWQTAQSSERQSYHN-FZMZJTMJSA-N
MW340.33 g/mol
LogP0.46
Rot. Bonds3

About 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one

4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one (PubChem CID 129346715) has the molecular formula C16H18F2N2O4 and a molecular weight of 340.33 g/mol. Its IUPAC name is 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
PubChem CID129346715
Molecular FormulaC16H18F2N2O4
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Name4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C1COCCN1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O4/c17-12-2-1-10(5-13(12)18)14-6-11(21)7-20(14)15(22)8-19-3-4-24-9-16(19)23/h1-2,5,11,14,21H,3-4,6-9H2/t11-,14-/m0/s1
InChIKeyWQTAQSSERQSYHN-FZMZJTMJSA-N
XLogP0.46
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 100720986
1-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348408
1-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348407
3-[2-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 129481574
3-[2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 129481575
4-[2-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129352098
4-[2-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 128990018
1-[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129352333
1-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 129352436
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
5-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 129352473
1-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 129346094

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
The IUPAC name of 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one (CID 129346715) is 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one is O=C1COCCN1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
The InChIKey is WQTAQSSERQSYHN-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H18F2N2O4/c17-12-2-1-10(5-13(12)18)14-6-11(21)7-20(14)15(22)8-19-3-4-24-9-16(19)23/h1-2,5,11,14,21H,3-4,6-9H2/t11-,14-/m0/s1.
What are the key properties of 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one has a molecular weight of 340.33 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one is sourced from PubChem (CID 129346715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).