N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide

C12H22N2O2 — CID 70872049

IUPACN-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide
SMILESCC(=O)NCC(O)CN1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C12H22N2O2/c1-9(15)13-7-12(16)8-14-10-3-2-4-11(14)6-5-10/h10-12,16H,2-8H2,1H3,(H,13,15)/t10-,11+,12?
InChIKeyCSPSYYWVFVQOJE-FOSCPWQOSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds4

About N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide

N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide (PubChem CID 70872049) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide
PubChem CID70872049
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide
SMILESCC(=O)NCC(O)CN1[C@@H]2CCC[C@H]1CC2
InChIInChI=1S/C12H22N2O2/c1-9(15)13-7-12(16)8-14-10-3-2-4-11(14)6-5-10/h10-12,16H,2-8H2,1H3,(H,13,15)/t10-,11+,12?
InChIKeyCSPSYYWVFVQOJE-FOSCPWQOSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide?
The IUPAC name of N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide (CID 70872049) is N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide?
The canonical SMILES for N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide is CC(=O)NCC(O)CN1[C@@H]2CCC[C@H]1CC2.
What is the InChIKey of N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide?
The InChIKey is CSPSYYWVFVQOJE-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(15)13-7-12(16)8-14-10-3-2-4-11(14)6-5-10/h10-12,16H,2-8H2,1H3,(H,13,15)/t10-,11+,12?.
What are the key properties of N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide?
N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-2-hydroxypropyl]acetamide is sourced from PubChem (CID 70872049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).