2-(3-methoxyphenyl)azetidine-3-carboxylic acid

C11H13NO3 — CID 105460068

IUPAC2-(3-methoxyphenyl)azetidine-3-carboxylic acid
SMILESCOc1cccc(C2NCC2C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-15-8-4-2-3-7(5-8)10-9(6-12-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)
InChIKeyVFEDYZKMOCEVTG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.04
Rot. Bonds3

About 2-(3-methoxyphenyl)azetidine-3-carboxylic acid

2-(3-methoxyphenyl)azetidine-3-carboxylic acid (PubChem CID 105460068) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)azetidine-3-carboxylic acid
PubChem CID105460068
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(3-methoxyphenyl)azetidine-3-carboxylic acid
SMILESCOc1cccc(C2NCC2C(=O)O)c1
InChIInChI=1S/C11H13NO3/c1-15-8-4-2-3-7(5-8)10-9(6-12-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)
InChIKeyVFEDYZKMOCEVTG-UHFFFAOYSA-N
XLogP1.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
tert-butyl (2S,3R)-2-(3-methoxyphenyl)pyrrolidine-3-carboxylate
CID 178194365
(3R,4S)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962565
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841819
methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
3-(3-methoxyphenyl)oxane-4-carboxylic acid
CID 84798105
4-(3-methoxyphenyl)oxane-3-carboxylic acid
CID 84798102
(3S,4R)-1-acetyl-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70714398
(2S,3S)-3-(3-methoxyphenyl)oxirane-2-carboxylic acid
CID 95212337
(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)azetidine-3-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)azetidine-3-carboxylic acid (CID 105460068) is 2-(3-methoxyphenyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)azetidine-3-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)azetidine-3-carboxylic acid is COc1cccc(C2NCC2C(=O)O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)azetidine-3-carboxylic acid?
The InChIKey is VFEDYZKMOCEVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-8-4-2-3-7(5-8)10-9(6-12-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-(3-methoxyphenyl)azetidine-3-carboxylic acid?
2-(3-methoxyphenyl)azetidine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 105460068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).