1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one

C12H21FN2O3 — CID 131900394

IUPAC1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)N1C[C@@H](O)[C@H](F)C1)N1CCOCC1
InChIInChI=1S/C12H21FN2O3/c1-12(2,15-3-5-18-6-4-15)11(17)14-7-9(13)10(16)8-14/h9-10,16H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyAZMKFILETRXESR-NXEZZACHSA-N
MW260.31 g/mol
LogP-0.36
Rot. Bonds2

About 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 131900394) has the molecular formula C12H21FN2O3 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID131900394
Molecular FormulaC12H21FN2O3
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)N1C[C@@H](O)[C@H](F)C1)N1CCOCC1
InChIInChI=1S/C12H21FN2O3/c1-12(2,15-3-5-18-6-4-15)11(17)14-7-9(13)10(16)8-14/h9-10,16H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyAZMKFILETRXESR-NXEZZACHSA-N
XLogP-0.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 131900394) is 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)N1C[C@@H](O)[C@H](F)C1)N1CCOCC1.
What is the InChIKey of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is AZMKFILETRXESR-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21FN2O3/c1-12(2,15-3-5-18-6-4-15)11(17)14-7-9(13)10(16)8-14/h9-10,16H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 260.31 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 131900394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).