2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid

C20H23NO4 — CID 77097604

IUPAC2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCOc1cccc(C2CCCN2Cc2ccccc2OCC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-24-17-8-4-7-15(12-17)18-9-5-11-21(18)13-16-6-2-3-10-19(16)25-14-20(22)23/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3,(H,22,23)
InChIKeyJJNGEUSVVBICHT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.50
Rot. Bonds7

About 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 77097604) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID77097604
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCOc1cccc(C2CCCN2Cc2ccccc2OCC(=O)O)c1
InChIInChI=1S/C20H23NO4/c1-24-17-8-4-7-15(12-17)18-9-5-11-21(18)13-16-6-2-3-10-19(16)25-14-20(22)23/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3,(H,22,23)
InChIKeyJJNGEUSVVBICHT-UHFFFAOYSA-N
XLogP3.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
2-[2-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125000713
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
2-(2-chlorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51325114
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
N-[[4-[(2R)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124960784
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid (CID 77097604) is 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid is COc1cccc(C2CCCN2Cc2ccccc2OCC(=O)O)c1.
What is the InChIKey of 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is JJNGEUSVVBICHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-17-8-4-7-15(12-17)18-9-5-11-21(18)13-16-6-2-3-10-19(16)25-14-20(22)23/h2-4,6-8,10,12,18H,5,9,11,13-14H2,1H3,(H,22,23).
What are the key properties of 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 77097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).