tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate

C20H23NO2 — CID 153372613

IUPACtert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-13-16(14-21)18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3
InChIKeyURPQXPVZJXDDNN-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.69
Rot. Bonds2

About tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate

tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate (PubChem CID 153372613) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate
PubChem CID153372613
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccccc2-c2ccccc2)C1
InChIInChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-13-16(14-21)18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3
InChIKeyURPQXPVZJXDDNN-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
CID 58547347
tert-butyl (3aS,8bR)-4-oxo-1,3,3a,8b-tetrahydroindeno[1,2-c]pyrrole-2-carboxylate
CID 124704137
(4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 96968919
tert-butyl (3aR,4R,8bR)-4-amino-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole-2-carboxylate
CID 71305255
tert-butyl (3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 118674798
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95735407
tert-butyl 3-[4-(benzenesulfonyl)phenyl]azetidine-1-carboxylate
CID 162745981
tert-butyl 7-benzyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 22490279
(3R,4R)-4-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 7145897
tert-butyl 5-oxo-3,3a,4,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinoline-2-carboxylate
CID 69056606
tert-butyl (4R)-3-(2-fluorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71188544

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate (CID 153372613) is tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccccc2-c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate?
The InChIKey is URPQXPVZJXDDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)23-19(22)21-13-16(14-21)18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3.
What are the key properties of tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate?
tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-phenylphenyl)azetidine-1-carboxylate is sourced from PubChem (CID 153372613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).