(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone

C12H19NO3 — CID 103873635

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H19NO3/c14-10-6-8-3-4-9(7-10)13(8)12(15)11-2-1-5-16-11/h8-11,14H,1-7H2/t8?,9?,10?,11-/m0/s1
InChIKeyZRYIEOVEUSFCBT-QUBJWBRDSA-N
MW225.29 g/mol
LogP0.68
Rot. Bonds1

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone (PubChem CID 103873635) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
PubChem CID103873635
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1C2CCC1CC(O)C2
InChIInChI=1S/C12H19NO3/c14-10-6-8-3-4-9(7-10)13(8)12(15)11-2-1-5-16-11/h8-11,14H,1-7H2/t8?,9?,10?,11-/m0/s1
InChIKeyZRYIEOVEUSFCBT-QUBJWBRDSA-N
XLogP0.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone (CID 103873635) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1C2CCC1CC(O)C2.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone?
The InChIKey is ZRYIEOVEUSFCBT-QUBJWBRDSA-N. The full InChI is InChI=1S/C12H19NO3/c14-10-6-8-3-4-9(7-10)13(8)12(15)11-2-1-5-16-11/h8-11,14H,1-7H2/t8?,9?,10?,11-/m0/s1.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone has a molecular weight of 225.29 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 103873635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).