1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid

C20H23NO5 — CID 59451825

IUPAC1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
SMILESCOc1cc(CN2CC(C(=O)O)C2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-24-17-8-15(10-21-11-16(12-21)20(22)23)9-18(25-2)19(17)26-13-14-6-4-3-5-7-14/h3-9,16H,10-13H2,1-2H3,(H,22,23)
InChIKeyPIMKJCNPHOTRML-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.80
Rot. Bonds8

About 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid

1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid (PubChem CID 59451825) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
PubChem CID59451825
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid
SMILESCOc1cc(CN2CC(C(=O)O)C2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-24-17-8-15(10-21-11-16(12-21)20(22)23)9-18(25-2)19(17)26-13-14-6-4-3-5-7-14/h3-9,16H,10-13H2,1-2H3,(H,22,23)
InChIKeyPIMKJCNPHOTRML-UHFFFAOYSA-N
XLogP2.80
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
1-[(4-methoxynaphthalen-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125111
1-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930206
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
1-[(3,5-dimethoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65072046
1-[(3-hydroxy-4-methoxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071834
cyclobutyl-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]methanone
CID 56511756
1-[[4-[[3-(difluoromethoxy)phenyl]methoxy]-3,5-dimethylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930898
1-[[3-methoxy-4-(5-phenylpentoxy)-5-thiophen-2-ylphenyl]methyl]azetidine-3-carboxylic acid;1-[[4-(6-phenylhexoxy)-3-thiophen-2-ylphenyl]methyl]azetidine-3-carboxylic acid
CID 87319229
methyl 1-[[4,5-bis(phenylmethoxy)-2-pyridinyl]methyl]azetidine-3-carboxylate
CID 71076330
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
(3aS,6aR)-2-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139598522

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid (CID 59451825) is 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid is COc1cc(CN2CC(C(=O)O)C2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid?
The InChIKey is PIMKJCNPHOTRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-17-8-15(10-21-11-16(12-21)20(22)23)9-18(25-2)19(17)26-13-14-6-4-3-5-7-14/h3-9,16H,10-13H2,1-2H3,(H,22,23).
What are the key properties of 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid?
1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59451825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).