tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate

C19H31N3O3 — CID 70962355

IUPACtert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(C(=O)NC2C=CC3CCCC2C3)C1
InChIInChI=1S/C19H31N3O3/c1-19(2,3)25-18(24)20-10-14-11-22(12-14)17(23)21-16-8-7-13-5-4-6-15(16)9-13/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyUITSNYPUGNXYSD-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate

tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate (PubChem CID 70962355) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate
PubChem CID70962355
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nametert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN(C(=O)NC2C=CC3CCCC2C3)C1
InChIInChI=1S/C19H31N3O3/c1-19(2,3)25-18(24)20-10-14-11-22(12-14)17(23)21-16-8-7-13-5-4-6-15(16)9-13/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyUITSNYPUGNXYSD-UHFFFAOYSA-N
XLogP2.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(2-adamantylcarbamoyl)pyrrolidin-3-yl]methyl]carbamate
CID 77483874
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(3-bromocyclohexyl)methyl]carbamate
CID 104701959
tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate
CID 140646692
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
tert-butyl N-[[3-[1-[2-(4-bromocyclohexyl)acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
CID 140644460
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-1-carboxylate
CID 170984745
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate (CID 70962355) is tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CN(C(=O)NC2C=CC3CCCC2C3)C1.
What is the InChIKey of tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate?
The InChIKey is UITSNYPUGNXYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-19(2,3)25-18(24)20-10-14-11-22(12-14)17(23)21-16-8-7-13-5-4-6-15(16)9-13/h7-8,13-16H,4-6,9-12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate has a molecular weight of 349.48 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(2-bicyclo[3.3.1]non-3-enylcarbamoyl)azetidin-3-yl]methyl]carbamate is sourced from PubChem (CID 70962355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).