tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate

C14H24N2O3 — CID 61072270

IUPACtert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CC2CCC1C2
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-7-6-12(17)16-9-10-4-5-11(16)8-10/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyZYPILARRRSBZLJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds3

About tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate

tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate (PubChem CID 61072270) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate
PubChem CID61072270
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CC2CCC1C2
InChIInChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-7-6-12(17)16-9-10-4-5-11(16)8-10/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyZYPILARRRSBZLJ-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate 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

[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]urea
CID 136578618
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
1-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromopentan-1-one
CID 107909874
tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
CID 68742391
tert-butyl N-(3-cyclobutyl-3-oxopropyl)carbamate
CID 66787499
tert-butyl N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]carbamate
CID 107093592
tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
CID 62330169
tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 172590820
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate (CID 61072270) is tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)N1CC2CCC1C2.
What is the InChIKey of tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate?
The InChIKey is ZYPILARRRSBZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-7-6-12(17)16-9-10-4-5-11(16)8-10/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate is sourced from PubChem (CID 61072270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).