tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate

C13H25N3O3 — CID 67392129

IUPACtert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCC(C)(C)C(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)19-11(18)16-6-9(7-16)15-8-13(4,5)10(14)17/h9,15H,6-8H2,1-5H3,(H2,14,17)
InChIKeyJHVYOBINZFKXCH-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.71
Rot. Bonds4

About tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate (PubChem CID 67392129) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
PubChem CID67392129
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NCC(C)(C)C(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)19-11(18)16-6-9(7-16)15-8-13(4,5)10(14)17/h9,15H,6-8H2,1-5H3,(H2,14,17)
InChIKeyJHVYOBINZFKXCH-UHFFFAOYSA-N
XLogP0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-ethoxy-2-oxoethyl)amino]azetidine-1-carboxylate
CID 63303097
tert-butyl 3-[(2-hydroxy-2-methylpentyl)amino]azetidine-1-carboxylate
CID 102672148
tert-butyl 3-(3-aminopropylamino)azetidine-1-carboxylate
CID 63303270
tert-butyl 3-(2-acetamidoethylamino)azetidine-1-carboxylate
CID 63302878
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-[2-(diethylamino)ethylamino]azetidine-1-carboxylate
CID 63302669
tert-butyl 3-(2-cyclopentylethylamino)azetidine-1-carboxylate
CID 63302686
tert-butyl 3-(3-sulfamoylpropylamino)azetidine-1-carboxylate
CID 63302897
tert-butyl 3-[2-(2,2-difluoroethoxy)ethylamino]azetidine-1-carboxylate
CID 103083084
tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
CID 63303169
tert-butyl 3-[(2-fluoro-2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 84710216
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate (CID 67392129) is tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NCC(C)(C)C(N)=O)C1.
What is the InChIKey of tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate?
The InChIKey is JHVYOBINZFKXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12(2,3)19-11(18)16-6-9(7-16)15-8-13(4,5)10(14)17/h9,15H,6-8H2,1-5H3,(H2,14,17).
What are the key properties of tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 67392129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).