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

C16H19FN2O4 — CID 100720986

IUPAC4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C1COCCN1CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O4/c17-12-3-1-2-11(6-12)14-7-13(20)8-19(14)15(21)9-18-4-5-23-10-16(18)22/h1-3,6,13-14,20H,4-5,7-10H2/t13-,14-/m0/s1
InChIKeyVIVXXKGRNWGQCO-KBPBESRZSA-N
MW322.34 g/mol
LogP0.32
Rot. Bonds3

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

4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one (PubChem CID 100720986) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
PubChem CID100720986
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
SMILESO=C1COCCN1CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O4/c17-12-3-1-2-11(6-12)14-7-13(20)8-19(14)15(21)9-18-4-5-23-10-16(18)22/h1-3,6,13-14,20H,4-5,7-10H2/t13-,14-/m0/s1
InChIKeyVIVXXKGRNWGQCO-KBPBESRZSA-N
XLogP0.32
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 129346715
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
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 129480640
3-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-oxo-N-(2,2,2-trifluoroethyl)propanamide
CID 100721553
4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one
CID 79468395
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-propylhexan-1-one
CID 129481580
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-[3-(methoxymethyl)phenyl]ethanone
CID 128990037
1-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 100720687
1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 100721515
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-(6-methoxy-2-pyridinyl)ethanone
CID 128964220
4-[2-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]benzonitrile
CID 129481433

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
The IUPAC name of 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one (CID 100720986) is 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one is O=C1COCCN1CC(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1.
What is the InChIKey of 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
The InChIKey is VIVXXKGRNWGQCO-KBPBESRZSA-N. The full InChI is InChI=1S/C16H19FN2O4/c17-12-3-1-2-11(6-12)14-7-13(20)8-19(14)15(21)9-18-4-5-23-10-16(18)22/h1-3,6,13-14,20H,4-5,7-10H2/t13-,14-/m0/s1.
What are the key properties of 4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one?
4-[2-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one has a molecular weight of 322.34 g/mol, XLogP of 0.32, 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-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one is sourced from PubChem (CID 100720986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).