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

C12H22N2O2 — CID 155890892

IUPACtert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CC(N)C2)C1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-9(7-14)8-4-10(13)5-8/h8-10H,4-7,13H2,1-3H3
InChIKeyACLDHPZPMVILOX-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.59
Rot. Bonds1

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

tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate (PubChem CID 155890892) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
PubChem CID155890892
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CC(N)C2)C1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-9(7-14)8-4-10(13)5-8/h8-10H,4-7,13H2,1-3H3
InChIKeyACLDHPZPMVILOX-UHFFFAOYSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(3-aminocyclobutyl)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 5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 83487964
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
acetamide;tert-butyl (1R,5S)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 143874394
tert-butyl (1S,5R,6S)-6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 97110869
tert-butyl (1R,6S)-5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 163202473
tert-butyl 5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 22594656
tert-butyl (3aR)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 69032277
tert-butyl 5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 112547151
tert-butyl 6-amino-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 82665285
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate (CID 155890892) is tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C2CC(N)C2)C1.
What is the InChIKey of tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate?
The InChIKey is ACLDHPZPMVILOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-9(7-14)8-4-10(13)5-8/h8-10H,4-7,13H2,1-3H3.
What are the key properties of tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate?
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate is sourced from PubChem (CID 155890892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).