tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate

C15H21NO3 — CID 171716686

IUPACtert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
SMILESCOc1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-12(10-16)11-6-5-7-13(8-11)18-4/h5-8,12H,9-10H2,1-4H3
InChIKeyJFZFKAVOPCGMNB-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate

tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate (PubChem CID 171716686) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
PubChem CID171716686
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nametert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
SMILESCOc1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-12(10-16)11-6-5-7-13(8-11)18-4/h5-8,12H,9-10H2,1-4H3
InChIKeyJFZFKAVOPCGMNB-UHFFFAOYSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
tert-butyl (3S,4S)-4-amino-3-(3-methoxyphenyl)piperidine-1-carboxylate
CID 99943446
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl 3-[(3-methoxyphenyl)methylamino]azetidine-1-carboxylate
CID 63303226
tert-butyl (4S)-4-(3-methoxyphenyl)-3-oxopiperidine-1-carboxylate
CID 95566665
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
tert-butyl (2S,3S)-3-hydroxy-2-(3-methoxyphenyl)piperidine-1-carboxylate
CID 11381259
tert-butyl 3-(3-bromo-4-cyclopropylphenyl)azetidine-1-carboxylate
CID 172992190
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 3-(3-bromo-4-chlorophenyl)azetidine-1-carboxylate
CID 172992187
tert-butyl 3-(4-fluoro-3-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 176576432
tert-butyl N-[[3-(3-methoxyphenyl)cyclobutyl]amino]carbamate
CID 107237136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate (CID 171716686) is tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate is COc1cccc(C2CN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate?
The InChIKey is JFZFKAVOPCGMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-9-12(10-16)11-6-5-7-13(8-11)18-4/h5-8,12H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate?
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate is sourced from PubChem (CID 171716686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).