tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate

C12H22N2O3 — CID 167488557

IUPACtert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CNC2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-5-4-9(8-14)16-10-6-13-7-10/h9-10,13H,4-8H2,1-3H3
InChIKeyIOSLMXBTLVPEDE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds2

About tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate

tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate (PubChem CID 167488557) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate
PubChem CID167488557
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC2CNC2)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-5-4-9(8-14)16-10-6-13-7-10/h9-10,13H,4-8H2,1-3H3
InChIKeyIOSLMXBTLVPEDE-UHFFFAOYSA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-piperidin-3-yloxypyrrolidine-1-carboxylate
CID 126844367
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 3-(1-sulfamoylazetidin-3-yl)oxypyrrolidine-1-carboxylate
CID 167488859
(3R,5S)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypiperidine-3-carboxylic acid
CID 154776209
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844
tert-butyl (3R)-3-carbonochloridoyloxypyrrolidine-1-carboxylate
CID 124584355
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate (CID 167488557) is tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC2CNC2)C1.
What is the InChIKey of tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate?
The InChIKey is IOSLMXBTLVPEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-5-4-9(8-14)16-10-6-13-7-10/h9-10,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate?
tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate is sourced from PubChem (CID 167488557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).