4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one

C9H18N2O2 — CID 107217564

IUPAC4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,10)4-3-8(13)11-5-7(12)6-11/h7,12H,3-6,10H2,1-2H3
InChIKeyVJVSNVUXIMZRGZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds3

About 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one

4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one (PubChem CID 107217564) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one
PubChem CID107217564
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)(N)CCC(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,10)4-3-8(13)11-5-7(12)6-11/h7,12H,3-6,10H2,1-2H3
InChIKeyVJVSNVUXIMZRGZ-UHFFFAOYSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-1-one
CID 66370433
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
4-amino-4-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743762
4-(4-amino-4-methylpentanoyl)piperazine-2,6-dione
CID 66085002
4-amino-1-(1,3-dihydroisoindol-2-yl)-4-methylpentan-1-one
CID 23091988
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
CID 107217559
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
CID 107222893
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one (CID 107217564) is 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one is CC(C)(N)CCC(=O)N1CC(O)C1.
What is the InChIKey of 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one?
The InChIKey is VJVSNVUXIMZRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,10)4-3-8(13)11-5-7(12)6-11/h7,12H,3-6,10H2,1-2H3.
What are the key properties of 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one?
4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 107217564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).