(2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one

C8H14N2O — CID 162368850

IUPAC(2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one
SMILESNC[C@@H]1C(=O)C2CCN1CC2
InChIInChI=1S/C8H14N2O/c9-5-7-8(11)6-1-3-10(7)4-2-6/h6-7H,1-5,9H2/t7-/m1/s1
InChIKeyOYFVWZCPPAQBCQ-SSDOTTSWSA-N
MW154.21 g/mol
LogP-0.39
Rot. Bonds1

About (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one

(2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 162368850) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one
PubChem CID162368850
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one
SMILESNC[C@@H]1C(=O)C2CCN1CC2
InChIInChI=1S/C8H14N2O/c9-5-7-8(11)6-1-3-10(7)4-2-6/h6-7H,1-5,9H2/t7-/m1/s1
InChIKeyOYFVWZCPPAQBCQ-SSDOTTSWSA-N
XLogP-0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one (CID 162368850) is (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one is NC[C@@H]1C(=O)C2CCN1CC2.
What is the InChIKey of (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is OYFVWZCPPAQBCQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14N2O/c9-5-7-8(11)6-1-3-10(7)4-2-6/h6-7H,1-5,9H2/t7-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one?
(2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 154.21 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 162368850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).