tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate

C12H22N2O3 — CID 59605621

IUPACtert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
SMILESCC1(O)CN(C2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)13-5-9(6-13)14-7-12(4,16)8-14/h9,16H,5-8H2,1-4H3
InChIKeyJHWAVTVUXCSETO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds1

About tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate

tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate (PubChem CID 59605621) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
PubChem CID59605621
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
SMILESCC1(O)CN(C2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)13-5-9(6-13)14-7-12(4,16)8-14/h9,16H,5-8H2,1-4H3
InChIKeyJHWAVTVUXCSETO-UHFFFAOYSA-N
XLogP0.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-hydroxy-3-methylazetidin-1-yl)piperidine-1-carboxylate
CID 163284820
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
CID 162451549
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694
tert-butyl 3-[3-(aminomethyl)azetidin-1-yl]azetidine-1-carboxylate
CID 129317740
tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate
CID 170749015
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 153403871
tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 130792843
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl 3-[(3R)-3-aminopyrrolidin-1-yl]azetidine-1-carboxylate
CID 130748145

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate (CID 59605621) is tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate is CC1(O)CN(C2CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate?
The InChIKey is JHWAVTVUXCSETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)13-5-9(6-13)14-7-12(4,16)8-14/h9,16H,5-8H2,1-4H3.
What are the key properties of tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate?
tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate is sourced from PubChem (CID 59605621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).