5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one

C12H22N2O2 — CID 107218972

IUPAC5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-9(3-2-6-13)11(15)14-7-12(16,8-14)10-4-5-10/h9-10,16H,2-8,13H2,1H3
InChIKeyNRSZNYCIQKZCND-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds5

About 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one

5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one (PubChem CID 107218972) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
PubChem CID107218972
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-9(3-2-6-13)11(15)14-7-12(16,8-14)10-4-5-10/h9-10,16H,2-8,13H2,1H3
InChIKeyNRSZNYCIQKZCND-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one
CID 107218806
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-5-methoxypentan-1-one
CID 107218930
N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide
CID 107211794
5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
CID 104683727
5-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 104685422
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
CID 107218721
5-amino-2-methyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 104684580

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one (CID 107218972) is 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one is CC(CCCN)C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one?
The InChIKey is NRSZNYCIQKZCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(3-2-6-13)11(15)14-7-12(16,8-14)10-4-5-10/h9-10,16H,2-8,13H2,1H3.
What are the key properties of 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one?
5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 107218972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).