3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one

C11H22N2O2 — CID 107219373

IUPAC3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
SMILESCC1(O)CN(C(=O)CC(N)C(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)8(12)5-9(14)13-6-11(4,15)7-13/h8,15H,5-7,12H2,1-4H3
InChIKeyAMBMPQAFZVKXBM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds2

About 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one

3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one (PubChem CID 107219373) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
PubChem CID107219373
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one
SMILESCC1(O)CN(C(=O)CC(N)C(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)8(12)5-9(14)13-6-11(4,15)7-13/h8,15H,5-7,12H2,1-4H3
InChIKeyAMBMPQAFZVKXBM-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one (CID 107219373) is 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one is CC1(O)CN(C(=O)CC(N)C(C)(C)C)C1.
What is the InChIKey of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one?
The InChIKey is AMBMPQAFZVKXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)8(12)5-9(14)13-6-11(4,15)7-13/h8,15H,5-7,12H2,1-4H3.
What are the key properties of 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one?
3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxy-3-methylazetidin-1-yl)-4,4-dimethylpentan-1-one is sourced from PubChem (CID 107219373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).