1-tritylazetidine-3-carboxylic acid

C23H21NO2 — CID 53445406

IUPAC1-tritylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H21NO2/c25-22(26)18-16-24(17-18)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,25,26)
InChIKeyAINRFUHUAOFVTO-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.99
Rot. Bonds5

About 1-tritylazetidine-3-carboxylic acid

1-tritylazetidine-3-carboxylic acid (PubChem CID 53445406) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-tritylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-tritylazetidine-3-carboxylic acid
PubChem CID53445406
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-tritylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H21NO2/c25-22(26)18-16-24(17-18)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,25,26)
InChIKeyAINRFUHUAOFVTO-UHFFFAOYSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tritylazetidine-3-carboxylic acid?
The IUPAC name of 1-tritylazetidine-3-carboxylic acid (CID 53445406) is 1-tritylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-tritylazetidine-3-carboxylic acid?
The canonical SMILES for 1-tritylazetidine-3-carboxylic acid is O=C(O)C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-tritylazetidine-3-carboxylic acid?
The InChIKey is AINRFUHUAOFVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c25-22(26)18-16-24(17-18)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,25,26).
What are the key properties of 1-tritylazetidine-3-carboxylic acid?
1-tritylazetidine-3-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylazetidine-3-carboxylic acid is sourced from PubChem (CID 53445406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).