tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate

C12H22N2O3 — CID 67343295

IUPACtert-butyl 3-morpholin-4-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-10(9-14)13-4-6-16-7-5-13/h10H,4-9H2,1-3H3
InChIKeyQQLOZRROQTZROD-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.94
Rot. Bonds1

About tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate

tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate (PubChem CID 67343295) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-morpholin-4-ylazetidine-1-carboxylate
PubChem CID67343295
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 3-morpholin-4-ylazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-10(9-14)13-4-6-16-7-5-13/h10H,4-9H2,1-3H3
InChIKeyQQLOZRROQTZROD-UHFFFAOYSA-N
XLogP0.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-methylmorpholine-4-carboxylate
CID 57960413
Tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate
CID 71306048
Tert-butyl 8-oxa-2,5-diazaspiro(3.5)nonane-5-carboxylate
CID 82662714
Tert-butyl 5-oxa-2,9-diazaspiro(3.5)nonane-2-carboxylate
CID 132343956
tert-Butyl (1-(2-hydroxyethyl)azetidin-3-yl)(methyl)carbamate
CID 118996731
2-diethylaminoethyl (2R,5S)-2,4,5-trimethylpiperazine-1-carboxylate
CID 515604
Tert-butyl 4-[1-(3-fluoropropoxycarbonyl)azetidin-3-yl]piperazine-1-carboxylate
CID 132364802
Tert-butyl 9-propanoyl-5-oxa-2,9-diazaspiro[3.5]nonane-2-carboxylate
CID 132390547
tert-butyl N-[4-(1,3-difluoropropan-2-yl)morpholin-2-yl]-N-methylcarbamate
CID 91488981
tert-butyl (2S)-2-[(3-fluoroazetidin-1-yl)methyl]morpholine-4-carboxylate
CID 176408486
1,1-Dimethylethyl (3S,5S)-3,5-dimethyl-4-morpholinecarboxylate
CID 57547100
tert-Butyl 6-methyl-8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate
CID 101900638

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate (CID 67343295) is tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N2CCOCC2)C1.
What is the InChIKey of tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate?
The InChIKey is QQLOZRROQTZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-8-10(9-14)13-4-6-16-7-5-13/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate?
tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-morpholin-4-ylazetidine-1-carboxylate is sourced from PubChem (CID 67343295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).