methyl 1-tritylazetidine-2-carboxylate

C24H23NO2 — CID 22328406

IUPACmethyl 1-tritylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-27-23(26)22-17-18-25(22)24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3
InChIKeyLXXFWYSDIMBVQR-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.23
Rot. Bonds5

About methyl 1-tritylazetidine-2-carboxylate

methyl 1-tritylazetidine-2-carboxylate (PubChem CID 22328406) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is methyl 1-tritylazetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-tritylazetidine-2-carboxylate
PubChem CID22328406
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Namemethyl 1-tritylazetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO2/c1-27-23(26)22-17-18-25(22)24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3
InChIKeyLXXFWYSDIMBVQR-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
methyl (2S,3S)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-tritylpyrrolidine-3-carboxylate
CID 11259936
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
N-ethylethanamine;(2S)-1-tritylpyrrolidine-2-carboxylic acid
CID 131885421
methyl (2S)-3-methyl-2-[methyl-[1-[(2R)-1-tritylazetidine-2-carbonyl]azetidine-3-carbonyl]amino]butanoate
CID 175303960
methyl 1-benzyl-3-(1-tritylaziridine-2-carbonyl)imidazolidine-4-carboxylate
CID 175300751
methyl (2S,3R)-3-methyl-1-tritylaziridine-2-carboxylate
CID 24865488
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
benzyl 1-tritylaziridine-2-carboxylate
CID 13191985
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805

Frequently Asked Questions

What is the IUPAC name of methyl 1-tritylazetidine-2-carboxylate?
The IUPAC name of methyl 1-tritylazetidine-2-carboxylate (CID 22328406) is methyl 1-tritylazetidine-2-carboxylate.
What is the SMILES notation for methyl 1-tritylazetidine-2-carboxylate?
The canonical SMILES for methyl 1-tritylazetidine-2-carboxylate is COC(=O)C1CCN1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 1-tritylazetidine-2-carboxylate?
The InChIKey is LXXFWYSDIMBVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-27-23(26)22-17-18-25(22)24(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3.
What are the key properties of methyl 1-tritylazetidine-2-carboxylate?
methyl 1-tritylazetidine-2-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-tritylazetidine-2-carboxylate is sourced from PubChem (CID 22328406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).