benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate

C19H19NO4 — CID 71680317

IUPACbenzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate
SMILESCC(=O)c1ccc(C2(O)CN(C(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO4/c1-14(21)16-7-9-17(10-8-16)19(23)12-20(13-19)18(22)24-11-15-5-3-2-4-6-15/h2-10,23H,11-13H2,1H3
InChIKeyNIDOLSMKQFJIRR-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.73
Rot. Bonds4

About benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate

benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate (PubChem CID 71680317) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate
PubChem CID71680317
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namebenzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate
SMILESCC(=O)c1ccc(C2(O)CN(C(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H19NO4/c1-14(21)16-7-9-17(10-8-16)19(23)12-20(13-19)18(22)24-11-15-5-3-2-4-6-15/h2-10,23H,11-13H2,1H3
InChIKeyNIDOLSMKQFJIRR-UHFFFAOYSA-N
XLogP2.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-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

benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl 3-hydroxy-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171962074
3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 118998171
benzyl 4-hydroxy-4-(4-methylsulfanylphenyl)piperidine-1-carboxylate
CID 54223724
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
benzyl 3-fluoro-3-formylazetidine-1-carboxylate
CID 105498785
benzyl 4-acetylbenzoate
CID 590101
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate?
The IUPAC name of benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate (CID 71680317) is benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate is CC(=O)c1ccc(C2(O)CN(C(=O)OCc3ccccc3)C2)cc1.
What is the InChIKey of benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate?
The InChIKey is NIDOLSMKQFJIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-14(21)16-7-9-17(10-8-16)19(23)12-20(13-19)18(22)24-11-15-5-3-2-4-6-15/h2-10,23H,11-13H2,1H3.
What are the key properties of benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate?
benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-acetylphenyl)-3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 71680317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).