(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C13H22N2O3 — CID 120921712

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H22N2O3/c1-8-12(14-4-5-18-8)13(17)15-9-2-3-10(15)7-11(16)6-9/h8-12,14,16H,2-7H2,1H3/t8-,9?,10?,11?,12+/m1/s1
InChIKeyIBDKKYZKDUHRRH-GSZDAEDLSA-N
MW254.33 g/mol
LogP-0.12
Rot. Bonds1

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

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120921712) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120921712
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C13H22N2O3/c1-8-12(14-4-5-18-8)13(17)15-9-2-3-10(15)7-11(16)6-9/h8-12,14,16H,2-7H2,1H3/t8-,9?,10?,11?,12+/m1/s1
InChIKeyIBDKKYZKDUHRRH-GSZDAEDLSA-N
XLogP-0.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120921712) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is C[C@H]1OCCN[C@@H]1C(=O)N1C2CCC1CC(O)C2.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is IBDKKYZKDUHRRH-GSZDAEDLSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-12(14-4-5-18-8)13(17)15-9-2-3-10(15)7-11(16)6-9/h8-12,14,16H,2-7H2,1H3/t8-,9?,10?,11?,12+/m1/s1.
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 254.33 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120921712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).