2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid

C23H29NO5 — CID 22682509

IUPAC2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
SMILESCOc1ccc(C(Cc2ccc(OC)cc2OCCN2CCCC2)C(=O)O)cc1
InChIInChI=1S/C23H29NO5/c1-27-19-8-5-17(6-9-19)21(23(25)26)15-18-7-10-20(28-2)16-22(18)29-14-13-24-11-3-4-12-24/h5-10,16,21H,3-4,11-15H2,1-2H3,(H,25,26)
InChIKeyJLTVDVPYDZBYAJ-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.59
Rot. Bonds10

About 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid

2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid (PubChem CID 22682509) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
PubChem CID22682509
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
SMILESCOc1ccc(C(Cc2ccc(OC)cc2OCCN2CCCC2)C(=O)O)cc1
InChIInChI=1S/C23H29NO5/c1-27-19-8-5-17(6-9-19)21(23(25)26)15-18-7-10-20(28-2)16-22(18)29-14-13-24-11-3-4-12-24/h5-10,16,21H,3-4,11-15H2,1-2H3,(H,25,26)
InChIKeyJLTVDVPYDZBYAJ-UHFFFAOYSA-N
XLogP3.59
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-phenylpropanoic acid
CID 20993535
2-(4-methoxyphenyl)-3-[2-(2-morpholin-4-ylethoxy)phenyl]propanoic acid
CID 20993638
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
3-[4-methoxy-2-(2-phenylethoxy)phenyl]-2-phenylpropanoic acid
CID 22683722
3-(2-hexoxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22685773
3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid?
The IUPAC name of 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid (CID 22682509) is 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid is COc1ccc(C(Cc2ccc(OC)cc2OCCN2CCCC2)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid?
The InChIKey is JLTVDVPYDZBYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-27-19-8-5-17(6-9-19)21(23(25)26)15-18-7-10-20(28-2)16-22(18)29-14-13-24-11-3-4-12-24/h5-10,16,21H,3-4,11-15H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid?
2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid has a molecular weight of 399.49 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 22682509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).