3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid

C13H15NO5 — CID 102569921

IUPAC3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
SMILESCOc1ccc(CN2C(=O)C(OC)C2C(=O)O)cc1
InChIInChI=1S/C13H15NO5/c1-18-9-5-3-8(4-6-9)7-14-10(13(16)17)11(19-2)12(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)
InChIKeyBDDZTBNRXAPLHT-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.51
Rot. Bonds5

About 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid

3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid (PubChem CID 102569921) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
PubChem CID102569921
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid
SMILESCOc1ccc(CN2C(=O)C(OC)C2C(=O)O)cc1
InChIInChI=1S/C13H15NO5/c1-18-9-5-3-8(4-6-9)7-14-10(13(16)17)11(19-2)12(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17)
InChIKeyBDDZTBNRXAPLHT-UHFFFAOYSA-N
XLogP0.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid (CID 102569921) is 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid is COc1ccc(CN2C(=O)C(OC)C2C(=O)O)cc1.
What is the InChIKey of 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid?
The InChIKey is BDDZTBNRXAPLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-9-5-3-8(4-6-9)7-14-10(13(16)17)11(19-2)12(14)15/h3-6,10-11H,7H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid?
3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(4-methoxyphenyl)methyl]-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 102569921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).