[(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

C16H28N2O2 — CID 124739688

IUPAC[(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESN[C@@H]1CCCCCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C16H28N2O2/c17-15-6-4-2-1-3-5-14(15)16(20)18-11-7-8-12(18)10-13(19)9-11/h11-15,19H,1-10,17H2/t11-,12-,14-,15+/m0/s1
InChIKeyTWLIZJQKBREGOP-NZBPQXDJSA-N
MW280.41 g/mol
LogP1.80
Rot. Bonds1

About [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

[(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 124739688) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID124739688
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESN[C@@H]1CCCCCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CC(O)C2
InChIInChI=1S/C16H28N2O2/c17-15-6-4-2-1-3-5-14(15)16(20)18-11-7-8-12(18)10-13(19)9-11/h11-15,19H,1-10,17H2/t11-,12-,14-,15+/m0/s1
InChIKeyTWLIZJQKBREGOP-NZBPQXDJSA-N
XLogP1.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 124739688) is [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is N[C@@H]1CCCCCC[C@@H]1C(=O)N1[C@H]2CC[C@H]1CC(O)C2.
What is the InChIKey of [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is TWLIZJQKBREGOP-NZBPQXDJSA-N. The full InChI is InChI=1S/C16H28N2O2/c17-15-6-4-2-1-3-5-14(15)16(20)18-11-7-8-12(18)10-13(19)9-11/h11-15,19H,1-10,17H2/t11-,12-,14-,15+/m0/s1.
What are the key properties of [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
[(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclooctyl]-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 124739688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).