tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate

C15H26N2O2 — CID 102672640

IUPACtert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCC2(C3CC3)CC2)C1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)17-8-12(9-17)16-10-15(6-7-15)11-4-5-11/h11-12,16H,4-10H2,1-3H3
InChIKeySBLVJAWJWSYIRQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate

tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate (PubChem CID 102672640) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate
PubChem CID102672640
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nametert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCC2(C3CC3)CC2)C1
InChIInChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)17-8-12(9-17)16-10-15(6-7-15)11-4-5-11/h11-12,16H,4-10H2,1-3H3
InChIKeySBLVJAWJWSYIRQ-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-[(1-cyclopropylcyclopropyl)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

Related Compounds

tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103949341
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
CID 67392129
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 8-hydroxy-8-methyl-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 162493694
tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
CID 63303097
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 3-[2-(3-hydroxypropylsulfanyl)ethylamino]azetidine-1-carboxylate
CID 102672027
tert-butyl 3-(6-methylsulfanylhexylamino)azetidine-1-carboxylate
CID 102672980
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate (CID 102672640) is tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCC2(C3CC3)CC2)C1.
What is the InChIKey of tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate?
The InChIKey is SBLVJAWJWSYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-14(2,3)19-13(18)17-8-12(9-17)16-10-15(6-7-15)11-4-5-11/h11-12,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate?
tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate has a molecular weight of 266.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-cyclopropylcyclopropyl)methylamino]azetidine-1-carboxylate is sourced from PubChem (CID 102672640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).