1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one

C12H23N3O — CID 65244573

IUPAC1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCC(C)N1C(C)C(=O)N1CC(N)C1
InChIInChI=1S/C12H23N3O/c1-8-4-5-9(2)15(8)10(3)12(16)14-6-11(13)7-14/h8-11H,4-7,13H2,1-3H3
InChIKeyGRZGLDDBPKGXQW-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.42
Rot. Bonds2

About 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one

1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one (PubChem CID 65244573) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one
PubChem CID65244573
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCC(C)N1C(C)C(=O)N1CC(N)C1
InChIInChI=1S/C12H23N3O/c1-8-4-5-9(2)15(8)10(3)12(16)14-6-11(13)7-14/h8-11H,4-7,13H2,1-3H3
InChIKeyGRZGLDDBPKGXQW-UHFFFAOYSA-N
XLogP0.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one (CID 65244573) is 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one is CC1CCC(C)N1C(C)C(=O)N1CC(N)C1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is GRZGLDDBPKGXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-8-4-5-9(2)15(8)10(3)12(16)14-6-11(13)7-14/h8-11H,4-7,13H2,1-3H3.
What are the key properties of 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one?
1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 225.34 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)-2-(2,5-dimethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 65244573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).