(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate

C22H31NO2 — CID 54360211

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate
SMILESCC(c1ccccc1)N1CCC1C(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C22H31NO2/c1-15(16-8-6-5-7-9-16)23-13-11-18(23)20(24)25-19-14-17-10-12-22(19,4)21(17,2)3/h5-9,15,17-19H,10-14H2,1-4H3
InChIKeyULZLNLFMXWRYBC-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.58
Rot. Bonds4

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate (PubChem CID 54360211) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate
PubChem CID54360211
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate
SMILESCC(c1ccccc1)N1CCC1C(=O)OC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C22H31NO2/c1-15(16-8-6-5-7-9-16)23-13-11-18(23)20(24)25-19-14-17-10-12-22(19,4)21(17,2)3/h5-9,15,17-19H,10-14H2,1-4H3
InChIKeyULZLNLFMXWRYBC-UHFFFAOYSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate with MolForge

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Related Compounds

[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-(4-benzylpiperazin-1-yl)butanoate
CID 162676862
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-(4-benzylpiperazin-1-yl)acetate
CID 162653585
N-benzyl-N,N-dimethyl-2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethanaminium
CID 3346974
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-benzylpiperazine-2-carboxylate
CID 21562914
N,N-dimethyl-1-phenyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
CID 21969841
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-[1-(4-methylphenyl)ethyl]azetidine-2-carboxylate
CID 23303166
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate
CID 23303180
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylpropyl)azetidine-2-carboxylate
CID 23303207
(5-Methyl-2-propan-2-ylcyclohexyl) 1-[1-(4-methylphenyl)ethyl]azetidine-2-carboxylate
CID 23303225
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
CID 23303234
(5-Methyl-2-propan-2-ylcyclohexyl) 1-(1-phenylpropyl)azetidine-2-carboxylate
CID 23303258
(5-Methyl-2-propan-2-ylcyclohexyl) 1-(1-phenylethyl)azetidine-2-carboxylate
CID 69976673

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate (CID 54360211) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate is CC(c1ccccc1)N1CCC1C(=O)OC1CC2CCC1(C)C2(C)C.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate?
The InChIKey is ULZLNLFMXWRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15(16-8-6-5-7-9-16)23-13-11-18(23)20(24)25-19-14-17-10-12-22(19,4)21(17,2)3/h5-9,15,17-19H,10-14H2,1-4H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate has a molecular weight of 341.50 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(1-phenylethyl)azetidine-2-carboxylate is sourced from PubChem (CID 54360211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).