tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate

C12H23N3O2 — CID 45072283

IUPACtert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(N)C2)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)14-5-4-10(8-14)15-6-9(13)7-15/h9-10H,4-8,13H2,1-3H3
InChIKeyVLYFJGWMNGPXSZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.64
Rot. Bonds1

About tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 45072283) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID45072283
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nametert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(N)C2)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)14-5-4-10(8-14)15-6-9(13)7-15/h9-10H,4-8,13H2,1-3H3
InChIKeyVLYFJGWMNGPXSZ-UHFFFAOYSA-N
XLogP0.64
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647
tert-butyl 4-[(3R)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 34178457
tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
CID 123619361
tert-butyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate
CID 45072279
tert-butyl 3-[(3R)-3-aminopyrrolidin-1-yl]azetidine-1-carboxylate
CID 130748145
tert-butyl (3R)-3-[(3S)-3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 129463098
tert-butyl 7-amino-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 74893751
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
tert-butyl 3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 76644324
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 22940599

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate (CID 45072283) is tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC(N)C2)C1.
What is the InChIKey of tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is VLYFJGWMNGPXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)17-11(16)14-5-4-10(8-14)15-6-9(13)7-15/h9-10H,4-8,13H2,1-3H3.
What are the key properties of tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(3-aminoazetidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.64, 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-aminoazetidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 45072283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).