methyl 1-(2-benzylphenyl)azetidine-2-carboxylate

C18H19NO2 — CID 115937751

IUPACmethyl 1-(2-benzylphenyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1ccccc1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)17-11-12-19(17)16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKeyGWIFWKMFWVDKDT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.03
Rot. Bonds4

About methyl 1-(2-benzylphenyl)azetidine-2-carboxylate

methyl 1-(2-benzylphenyl)azetidine-2-carboxylate (PubChem CID 115937751) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 1-(2-benzylphenyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-benzylphenyl)azetidine-2-carboxylate
PubChem CID115937751
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 1-(2-benzylphenyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1c1ccccc1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)17-11-12-19(17)16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKeyGWIFWKMFWVDKDT-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
methyl 1-(2-cyano-3-methylphenyl)azetidine-2-carboxylate
CID 107802149
methyl 1-(2-aminophenyl)pyrrolidine-2-carboxylate
CID 53402483
5-(2-methoxycarbonylazetidin-1-yl)furan-2-carboxylic acid
CID 165490320
methyl 1-[2-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxylate
CID 62006621
2-[2-(2-methoxycarbonylpyrrolidin-1-yl)phenyl]-2-methylpropanoic acid
CID 82537738
methyl 1-(2,4,5-trichlorophenyl)azetidine-2-carboxylate
CID 112581117
methyl 1-isoquinolin-5-ylazetidine-2-carboxylate
CID 112581219
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-benzylphenyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(2-benzylphenyl)azetidine-2-carboxylate (CID 115937751) is methyl 1-(2-benzylphenyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-benzylphenyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-benzylphenyl)azetidine-2-carboxylate is COC(=O)C1CCN1c1ccccc1Cc1ccccc1.
What is the InChIKey of methyl 1-(2-benzylphenyl)azetidine-2-carboxylate?
The InChIKey is GWIFWKMFWVDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-18(20)17-11-12-19(17)16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3.
What are the key properties of methyl 1-(2-benzylphenyl)azetidine-2-carboxylate?
methyl 1-(2-benzylphenyl)azetidine-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-benzylphenyl)azetidine-2-carboxylate is sourced from PubChem (CID 115937751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).