[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone

C15H25FN2O4 — CID 154781675

IUPAC[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
SMILESO=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC(F)(CO)C1
InChIInChI=1S/C15H25FN2O4/c16-15(11-19)3-4-18(10-15)14(20)13-2-1-12(22-13)9-17-5-7-21-8-6-17/h12-13,19H,1-11H2/t12-,13+,15?/m1/s1
InChIKeyMGVNXCGHIOIGSN-NEJHNUGDSA-N
MW316.37 g/mol
LogP-0.20
Rot. Bonds4

About [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone

[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone (PubChem CID 154781675) has the molecular formula C15H25FN2O4 and a molecular weight of 316.37 g/mol. Its IUPAC name is [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
PubChem CID154781675
Molecular FormulaC15H25FN2O4
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
SMILESO=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC(F)(CO)C1
InChIInChI=1S/C15H25FN2O4/c16-15(11-19)3-4-18(10-15)14(20)13-2-1-12(22-13)9-17-5-7-21-8-6-17/h12-13,19H,1-11H2/t12-,13+,15?/m1/s1
InChIKeyMGVNXCGHIOIGSN-NEJHNUGDSA-N
XLogP-0.20
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
The IUPAC name of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone (CID 154781675) is [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone.
What is the SMILES notation for [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
The canonical SMILES for [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone is O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCC(F)(CO)C1.
What is the InChIKey of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
The InChIKey is MGVNXCGHIOIGSN-NEJHNUGDSA-N. The full InChI is InChI=1S/C15H25FN2O4/c16-15(11-19)3-4-18(10-15)14(20)13-2-1-12(22-13)9-17-5-7-21-8-6-17/h12-13,19H,1-11H2/t12-,13+,15?/m1/s1.
What are the key properties of [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone?
[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone has a molecular weight of 316.37 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone is sourced from PubChem (CID 154781675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).