[(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

C12H23N5O — CID 170055450

IUPAC[(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCN(C)N1C2CCC1CN(C(=O)N1CC[C@@H]1N)C2
InChIInChI=1S/C12H23N5O/c1-14(2)17-9-3-4-10(17)8-15(7-9)12(18)16-6-5-11(16)13/h9-11H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyODUQFBZPSNCASY-VQXHTEKXSA-N
MW253.35 g/mol
LogP-0.28
Rot. Bonds1

About [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

[(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 170055450) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID170055450
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name[(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCN(C)N1C2CCC1CN(C(=O)N1CC[C@@H]1N)C2
InChIInChI=1S/C12H23N5O/c1-14(2)17-9-3-4-10(17)8-15(7-9)12(18)16-6-5-11(16)13/h9-11H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1
InChIKeyODUQFBZPSNCASY-VQXHTEKXSA-N
XLogP-0.28
TPSA56.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 170055450) is [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is CN(C)N1C2CCC1CN(C(=O)N1CC[C@@H]1N)C2.
What is the InChIKey of [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is ODUQFBZPSNCASY-VQXHTEKXSA-N. The full InChI is InChI=1S/C12H23N5O/c1-14(2)17-9-3-4-10(17)8-15(7-9)12(18)16-6-5-11(16)13/h9-11H,3-8,13H2,1-2H3/t9?,10?,11-/m1/s1.
What are the key properties of [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
[(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 253.35 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-aminoazetidin-1-yl]-[8-(dimethylamino)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 170055450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).