(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one

C8H14N2O — CID 124676728

IUPAC(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESC[C@@]12CC[C@H](N)[C@@H](C1)C(=O)N2
InChIInChI=1S/C8H14N2O/c1-8-3-2-6(9)5(4-8)7(11)10-8/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6+,8-/m1/s1
InChIKeyBXTJIJXBUCTPAU-GKROBHDKSA-N
MW154.21 g/mol
LogP0.00
Rot. Bonds

About (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one

(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 124676728) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one
PubChem CID124676728
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESC[C@@]12CC[C@H](N)[C@@H](C1)C(=O)N2
InChIInChI=1S/C8H14N2O/c1-8-3-2-6(9)5(4-8)7(11)10-8/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6+,8-/m1/s1
InChIKeyBXTJIJXBUCTPAU-GKROBHDKSA-N
XLogP0.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one (CID 124676728) is (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one is C[C@@]12CC[C@H](N)[C@@H](C1)C(=O)N2.
What is the InChIKey of (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The InChIKey is BXTJIJXBUCTPAU-GKROBHDKSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8-3-2-6(9)5(4-8)7(11)10-8/h5-6H,2-4,9H2,1H3,(H,10,11)/t5-,6+,8-/m1/s1.
What are the key properties of (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 154.21 g/mol, XLogP of 0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 124676728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).