1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone

C12H23N3O — CID 138049910

IUPAC1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone
SMILESCC(C)CNCC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C12H23N3O/c1-9(2)5-14-6-11(16)15-7-10-3-4-12(10,13)8-15/h9-10,14H,3-8,13H2,1-2H3/t10-,12-/m0/s1
InChIKeyFWOAGBULEBEGAZ-JQWIXIFHSA-N
MW225.34 g/mol
LogP0.18
Rot. Bonds4

About 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone

1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone (PubChem CID 138049910) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone
PubChem CID138049910
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone
SMILESCC(C)CNCC(=O)N1C[C@@H]2CC[C@]2(N)C1
InChIInChI=1S/C12H23N3O/c1-9(2)5-14-6-11(16)15-7-10-3-4-12(10,13)8-15/h9-10,14H,3-8,13H2,1-2H3/t10-,12-/m0/s1
InChIKeyFWOAGBULEBEGAZ-JQWIXIFHSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone?
The IUPAC name of 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone (CID 138049910) is 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone.
What is the SMILES notation for 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone?
The canonical SMILES for 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone is CC(C)CNCC(=O)N1C[C@@H]2CC[C@]2(N)C1.
What is the InChIKey of 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone?
The InChIKey is FWOAGBULEBEGAZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)5-14-6-11(16)15-7-10-3-4-12(10,13)8-15/h9-10,14H,3-8,13H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone?
1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-2-(2-methylpropylamino)ethanone is sourced from PubChem (CID 138049910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).