1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid

C19H21NO3 — CID 59451739

IUPAC1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C19H21NO3/c1-14-4-2-3-5-16(14)13-23-18-8-6-15(7-9-18)10-20-11-17(12-20)19(21)22/h2-9,17H,10-13H2,1H3,(H,21,22)
InChIKeyVECLQPXKMJMEEW-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.09
Rot. Bonds6

About 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 59451739) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID59451739
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C19H21NO3/c1-14-4-2-3-5-16(14)13-23-18-8-6-15(7-9-18)10-20-11-17(12-20)19(21)22/h2-9,17H,10-13H2,1H3,(H,21,22)
InChIKeyVECLQPXKMJMEEW-UHFFFAOYSA-N
XLogP3.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid (CID 59451739) is 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid is Cc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is VECLQPXKMJMEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-4-2-3-5-16(14)13-23-18-8-6-15(7-9-18)10-20-11-17(12-20)19(21)22/h2-9,17H,10-13H2,1H3,(H,21,22).
What are the key properties of 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-methylphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59451739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).