tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate

C12H23NO2 — CID 143769589

IUPACtert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
SMILESCC(C)CC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)8-10-6-7-13(10)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyNKGUEHSMNTVEBG-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.04
Rot. Bonds2

About tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate

tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate (PubChem CID 143769589) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
PubChem CID143769589
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
SMILESCC(C)CC1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)8-10-6-7-13(10)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyNKGUEHSMNTVEBG-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate
CID 66732195
tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
CID 84813183
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 4-benzyl-7-(2-methylpropyl)-1,4-diazepane-1-carboxylate
CID 163245986
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl (2S)-2-(2-methylpropyl)-4-oxopyrrolidine-1-carboxylate
CID 24813169
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
CID 67107599
tert-butyl 2-(pent-2-en-3-yloxymethyl)azetidine-1-carboxylate
CID 90703735
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate (CID 143769589) is tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate is CC(C)CC1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate?
The InChIKey is NKGUEHSMNTVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)8-10-6-7-13(10)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate?
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate is sourced from PubChem (CID 143769589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).