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

C12H22N2O2 — CID 53484509

IUPACtert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC2CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-10(8-14)13-9-5-4-6-9/h9-10,13H,4-8H2,1-3H3
InChIKeyWEJZFJAOSPRHNC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds2

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

tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate (PubChem CID 53484509) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
PubChem CID53484509
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC2CCC2)C1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-10(8-14)13-9-5-4-6-9/h9-10,13H,4-8H2,1-3H3
InChIKeyWEJZFJAOSPRHNC-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(cyclobutylamino)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

Related Compounds

tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl 3-[(1,1-dioxothian-3-yl)amino]azetidine-1-carboxylate
CID 63924279
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
CID 67289806
tert-butyl (3R,4R)-3-(cyclohexylamino)-4-hydroxypyrrolidine-1-carboxylate
CID 53269647
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
CID 103965667
tert-butyl (4S)-3-(cyclopentylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103845392
tert-butyl 9-oxa-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 58477127
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 107241554
tert-butyl 4-[(4-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103980484
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate (CID 53484509) is tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NC2CCC2)C1.
What is the InChIKey of tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate?
The InChIKey is WEJZFJAOSPRHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-10(8-14)13-9-5-4-6-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate?
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate is sourced from PubChem (CID 53484509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).