1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone

C11H20N2O2 — CID 167782690

IUPAC1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1[C@@H]2CC[C@H]1CC(CN)C2
InChIInChI=1S/C11H20N2O2/c1-15-7-11(14)13-9-2-3-10(13)5-8(4-9)6-12/h8-10H,2-7,12H2,1H3/t8?,9-,10+
InChIKeyUZHMUMCBLMWXMU-PBINXNQUSA-N
MW212.29 g/mol
LogP0.36
Rot. Bonds3

About 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone

1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone (PubChem CID 167782690) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone
PubChem CID167782690
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone
SMILESCOCC(=O)N1[C@@H]2CC[C@H]1CC(CN)C2
InChIInChI=1S/C11H20N2O2/c1-15-7-11(14)13-9-2-3-10(13)5-8(4-9)6-12/h8-10H,2-7,12H2,1H3/t8?,9-,10+
InChIKeyUZHMUMCBLMWXMU-PBINXNQUSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone?
The IUPAC name of 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone (CID 167782690) is 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone is COCC(=O)N1[C@@H]2CC[C@H]1CC(CN)C2.
What is the InChIKey of 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone?
The InChIKey is UZHMUMCBLMWXMU-PBINXNQUSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-7-11(14)13-9-2-3-10(13)5-8(4-9)6-12/h8-10H,2-7,12H2,1H3/t8?,9-,10+.
What are the key properties of 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone?
1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone has a molecular weight of 212.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-methoxyethanone is sourced from PubChem (CID 167782690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).