methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate

C14H19NO3 — CID 107850027

IUPACmethyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCc1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-17-12-5-3-4-11(10-12)6-8-15-9-7-13(15)14(16)18-2/h3-5,10,13H,6-9H2,1-2H3
InChIKeyIAIGSCLXCYIPOK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds5

About methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate

methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate (PubChem CID 107850027) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
PubChem CID107850027
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCc1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-17-12-5-3-4-11(10-12)6-8-15-9-7-13(15)14(16)18-2/h3-5,10,13H,6-9H2,1-2H3
InChIKeyIAIGSCLXCYIPOK-UHFFFAOYSA-N
XLogP1.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
N-ethyl-1-[2-(3-methoxyphenyl)ethyl]-2,3-dimethylpiperidin-4-amine
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1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
tert-butyl (2S)-1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 80997744
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl (2S)-1-(4,4-diphenylbut-3-enyl)azetidine-2-carboxylate
CID 59941159
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate
CID 175477899

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate (CID 107850027) is methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate is COC(=O)C1CCN1CCc1cccc(OC)c1.
What is the InChIKey of methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate?
The InChIKey is IAIGSCLXCYIPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-5-3-4-11(10-12)6-8-15-9-7-13(15)14(16)18-2/h3-5,10,13H,6-9H2,1-2H3.
What are the key properties of methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate?
methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate is sourced from PubChem (CID 107850027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).