[(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol

C12H25NO — CID 89313896

IUPAC[(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol
SMILESCN1CC(C(C)(C)C(C)(C)C)[C@H]1CO
InChIInChI=1S/C12H25NO/c1-11(2,3)12(4,5)9-7-13(6)10(9)8-14/h9-10,14H,7-8H2,1-6H3/t9?,10-/m1/s1
InChIKeyTURMQAYWAHRDSL-QVDQXJPCSA-N
MW199.34 g/mol
LogP1.98
Rot. Bonds2

About [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol

[(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol (PubChem CID 89313896) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol
PubChem CID89313896
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol
SMILESCN1CC(C(C)(C)C(C)(C)C)[C@H]1CO
InChIInChI=1S/C12H25NO/c1-11(2,3)12(4,5)9-7-13(6)10(9)8-14/h9-10,14H,7-8H2,1-6H3/t9?,10-/m1/s1
InChIKeyTURMQAYWAHRDSL-QVDQXJPCSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol;tungsten
CID 59014492
2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 130313759
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
[(2R,5S)-1,5-dimethylpiperidin-2-yl]methanol
CID 118033473
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
CID 145222779
[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 177157260
[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
(2R,3R,4S,5R)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
CID 132608579
2-[3-(hydroxymethyl)-4,6-dimethylpiperazin-2-yl]-2-oxoacetaldehyde
CID 174799451
(2S,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11816841
[(2S,3S)-2,4-dimethylmorpholin-3-yl]methanol
CID 155290860

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol?
The IUPAC name of [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol (CID 89313896) is [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol is CN1CC(C(C)(C)C(C)(C)C)[C@H]1CO.
What is the InChIKey of [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol?
The InChIKey is TURMQAYWAHRDSL-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2,3)12(4,5)9-7-13(6)10(9)8-14/h9-10,14H,7-8H2,1-6H3/t9?,10-/m1/s1.
What are the key properties of [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol?
[(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methyl-3-(2,3,3-trimethylbutan-2-yl)azetidin-2-yl]methanol is sourced from PubChem (CID 89313896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).