benzyl 1-benzylazetidine-2-carboxylate

C18H19NO2 — CID 11150217

IUPACbenzyl 1-benzylazetidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(21-14-16-9-5-2-6-10-16)17-11-12-19(17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyHHQUCAZMLJBLSH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds5

About benzyl 1-benzylazetidine-2-carboxylate

benzyl 1-benzylazetidine-2-carboxylate (PubChem CID 11150217) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl 1-benzylazetidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-benzylazetidine-2-carboxylate
PubChem CID11150217
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl 1-benzylazetidine-2-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(21-14-16-9-5-2-6-10-16)17-11-12-19(17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyHHQUCAZMLJBLSH-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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O1-benzyl O2-tert-butyl 2-benzylazetidine-1,2-dicarboxylate
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benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
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Benzyl N,N-dibenzyl-L-phenylalaninate
CID 10928230
Dibenzylamino-acetic acid benzyl ester
CID 4683020
Ethyl 1-benzhydrylazetidine-2-carboxylate
CID 597637
Benzyl dibenzyl-l-serinate
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Benzyl N-Diphenylmethyl-2-azetidinecarboxylate
CID 323845
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Frequently Asked Questions

What is the IUPAC name of benzyl 1-benzylazetidine-2-carboxylate?
The IUPAC name of benzyl 1-benzylazetidine-2-carboxylate (CID 11150217) is benzyl 1-benzylazetidine-2-carboxylate.
What is the SMILES notation for benzyl 1-benzylazetidine-2-carboxylate?
The canonical SMILES for benzyl 1-benzylazetidine-2-carboxylate is O=C(OCc1ccccc1)C1CCN1Cc1ccccc1.
What is the InChIKey of benzyl 1-benzylazetidine-2-carboxylate?
The InChIKey is HHQUCAZMLJBLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21-14-16-9-5-2-6-10-16)17-11-12-19(17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2.
What are the key properties of benzyl 1-benzylazetidine-2-carboxylate?
benzyl 1-benzylazetidine-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-benzylazetidine-2-carboxylate is sourced from PubChem (CID 11150217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).