tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate

C15H27N3O3 — CID 138039637

IUPACtert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(C)(CN)C2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)17-7-5-11(6-8-17)18-10-15(4,9-16)12(18)19/h11H,5-10,16H2,1-4H3
InChIKeyOZBXZYNXSCQVJW-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.19
Rot. Bonds2

About tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate (PubChem CID 138039637) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate
PubChem CID138039637
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CC(C)(CN)C2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)17-7-5-11(6-8-17)18-10-15(4,9-16)12(18)19/h11H,5-10,16H2,1-4H3
InChIKeyOZBXZYNXSCQVJW-UHFFFAOYSA-N
XLogP1.19
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate (CID 138039637) is tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CC(C)(CN)C2=O)CC1.
What is the InChIKey of tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate?
The InChIKey is OZBXZYNXSCQVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)17-7-5-11(6-8-17)18-10-15(4,9-16)12(18)19/h11H,5-10,16H2,1-4H3.
What are the key properties of tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 138039637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).