tert-butyl 3-(methylamino)azetidine-1-carboxylate

C9H18N2O2 — CID 23153172

IUPACtert-butyl 3-(methylamino)azetidine-1-carboxylate
SMILESCNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(6-11)10-4/h7,10H,5-6H2,1-4H3
InChIKeyCHRBSEYIEDTNSC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds1

About tert-butyl 3-(methylamino)azetidine-1-carboxylate

tert-butyl 3-(methylamino)azetidine-1-carboxylate (PubChem CID 23153172) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl 3-(methylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methylamino)azetidine-1-carboxylate
PubChem CID23153172
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nametert-butyl 3-(methylamino)azetidine-1-carboxylate
SMILESCNC1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(6-11)10-4/h7,10H,5-6H2,1-4H3
InChIKeyCHRBSEYIEDTNSC-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(methylamino)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(methylamino)azetidine-1-carboxylate (CID 23153172) is tert-butyl 3-(methylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(methylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(methylamino)azetidine-1-carboxylate is CNC1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(methylamino)azetidine-1-carboxylate?
The InChIKey is CHRBSEYIEDTNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-7(6-11)10-4/h7,10H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-(methylamino)azetidine-1-carboxylate?
tert-butyl 3-(methylamino)azetidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methylamino)azetidine-1-carboxylate is sourced from PubChem (CID 23153172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).