tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate

C13H26N2O3 — CID 55206509

IUPACtert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate
SMILESCCOCC(C)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-6-17-9-10(2)14-11-7-15(8-11)12(16)18-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyMJMYVCXIJVGGGN-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.62
Rot. Bonds5

About tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate

tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate (PubChem CID 55206509) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate
PubChem CID55206509
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate
SMILESCCOCC(C)NC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O3/c1-6-17-9-10(2)14-11-7-15(8-11)12(16)18-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKeyMJMYVCXIJVGGGN-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate (CID 55206509) is tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate is CCOCC(C)NC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate?
The InChIKey is MJMYVCXIJVGGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-17-9-10(2)14-11-7-15(8-11)12(16)18-13(3,4)5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate?
tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-ethoxypropan-2-ylamino)azetidine-1-carboxylate is sourced from PubChem (CID 55206509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).