benzyl 3-ethoxy-3-methylazetidine-1-carboxylate

C14H19NO3 — CID 130804628

IUPACbenzyl 3-ethoxy-3-methylazetidine-1-carboxylate
SMILESCCOC1(C)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-3-18-14(2)10-15(11-14)13(16)17-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyZHFFLYQGMQWFFI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.43
Rot. Bonds4

About benzyl 3-ethoxy-3-methylazetidine-1-carboxylate

benzyl 3-ethoxy-3-methylazetidine-1-carboxylate (PubChem CID 130804628) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl 3-ethoxy-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-ethoxy-3-methylazetidine-1-carboxylate
PubChem CID130804628
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl 3-ethoxy-3-methylazetidine-1-carboxylate
SMILESCCOC1(C)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-3-18-14(2)10-15(11-14)13(16)17-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3
InChIKeyZHFFLYQGMQWFFI-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze benzyl 3-ethoxy-3-methylazetidine-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-methyl-3-methylsulfonyloxyazetidine-1-carboxylate
CID 71304130
3-methyl-1-phenylmethoxycarbonylazetidine-3-carboxylate
CID 91666202
benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
CID 90202541
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
benzyl 3-fluoro-3-formylazetidine-1-carboxylate
CID 105498785
benzyl 3-methyl-3-(methylsulfinylmethyl)azetidine-1-carboxylate
CID 167741929
benzyl (3S,4S)-3-hydroxy-4-(methoxyamino)-3,4-dimethylpyrrolidine-1-carboxylate
CID 10756208
3-(hydroxymethyl)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 68530600
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
3-tert-butyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 91090343
benzyl 5,5-dimethyl-1,3-thiazolidine-3-carboxylate
CID 174934341
3-phenyl-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 118998171

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethoxy-3-methylazetidine-1-carboxylate?
The IUPAC name of benzyl 3-ethoxy-3-methylazetidine-1-carboxylate (CID 130804628) is benzyl 3-ethoxy-3-methylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-ethoxy-3-methylazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-ethoxy-3-methylazetidine-1-carboxylate is CCOC1(C)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-ethoxy-3-methylazetidine-1-carboxylate?
The InChIKey is ZHFFLYQGMQWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-18-14(2)10-15(11-14)13(16)17-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3.
What are the key properties of benzyl 3-ethoxy-3-methylazetidine-1-carboxylate?
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethoxy-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 130804628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).