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

C19H21NO4 — CID 176930206

IUPAC1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCOc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C19H21NO4/c1-23-18-5-3-2-4-15(18)13-24-17-8-6-14(7-9-17)10-20-11-16(12-20)19(21)22/h2-9,16H,10-13H2,1H3,(H,21,22)
InChIKeyGZIURVPEYPRTJG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds7

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

1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 176930206) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID176930206
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
SMILESCOc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1
InChIInChI=1S/C19H21NO4/c1-23-18-5-3-2-4-15(18)13-24-17-8-6-14(7-9-17)10-20-11-16(12-20)19(21)22/h2-9,16H,10-13H2,1H3,(H,21,22)
InChIKeyGZIURVPEYPRTJG-UHFFFAOYSA-N
XLogP2.79
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid with MolForge

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Related Compounds

1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 59451825
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
[4-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 54940415
1-[[4-[[4-(2,2-difluoroethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930409
1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 24761997
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-[[4-(cyclobutylmethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176930778
1-[[4-(5,5,5-trifluoropentoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 176929830
1-[[4-(2-methoxy-2-oxo-1-phenylethoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 59451879
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009462
1-[[5-chloro-8-[(2-methoxy-4-propylphenyl)methoxy]-2,3-dihydro-1-benzoxepin-4-yl]methyl]azetidine-3-carboxylic acid
CID 58438805

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid (CID 176930206) is 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid is COc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is GZIURVPEYPRTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-18-5-3-2-4-15(18)13-24-17-8-6-14(7-9-17)10-20-11-16(12-20)19(21)22/h2-9,16H,10-13H2,1H3,(H,21,22).
What are the key properties of 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 176930206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).