(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one

C10H19NO2 — CID 131154451

IUPAC(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CCC1(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(12)9(13)11-6-5-10(11,3)4/h7-8,12H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyZMMNOYUOPUKHTC-QMMMGPOBSA-N
MW185.27 g/mol
LogP1.01
Rot. Bonds2

About (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one

(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one (PubChem CID 131154451) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
PubChem CID131154451
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CCC1(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8(12)9(13)11-6-5-10(11,3)4/h7-8,12H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyZMMNOYUOPUKHTC-QMMMGPOBSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 63217403
(2R)-2-hydroxy-3-methyl-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444443
methyl 2,2-dimethylazetidine-1-carboxylate
CID 126990009
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899
(1-aminocyclopropyl)-(2,2-dimethylazetidin-1-yl)methanone
CID 130683901
2-(2,2-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76987321
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
1-(2,2-dimethylazetidin-1-yl)but-2-yn-1-one
CID 126988479
2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 134435805
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422
1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 130734788
(2,2-dimethylazetidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130703615

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one (CID 131154451) is (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one is CC(C)[C@H](O)C(=O)N1CCC1(C)C.
What is the InChIKey of (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
The InChIKey is ZMMNOYUOPUKHTC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(12)9(13)11-6-5-10(11,3)4/h7-8,12H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 131154451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).