1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid

C18H17NO3 — CID 72942548

IUPAC1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
SMILESO=C1CC(Cc2ccccc2)(C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-16-12-18(17(21)22,11-14-7-3-1-4-8-14)19(16)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)
InChIKeyOMUHSOSJVCCTJU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.48
Rot. Bonds5

About 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid

1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 72942548) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
PubChem CID72942548
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
SMILESO=C1CC(Cc2ccccc2)(C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-16-12-18(17(21)22,11-14-7-3-1-4-8-14)19(16)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)
InChIKeyOMUHSOSJVCCTJU-UHFFFAOYSA-N
XLogP2.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid (CID 72942548) is 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid is O=C1CC(Cc2ccccc2)(C(=O)O)N1Cc1ccccc1.
What is the InChIKey of 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is OMUHSOSJVCCTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-16-12-18(17(21)22,11-14-7-3-1-4-8-14)19(16)13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22).
What are the key properties of 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid?
1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 72942548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).