2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid

C19H21NO4 — CID 24845352

IUPAC2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
SMILESCOc1ccc(Oc2ccc(C3CCCN3CC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-23-15-8-10-17(11-9-15)24-16-6-4-14(5-7-16)18-3-2-12-20(18)13-19(21)22/h4-11,18H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyYNAXWIDPKTXJKS-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.71
Rot. Bonds6

About 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid

2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid (PubChem CID 24845352) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
PubChem CID24845352
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
SMILESCOc1ccc(Oc2ccc(C3CCCN3CC(=O)O)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-23-15-8-10-17(11-9-15)24-16-6-4-14(5-7-16)18-3-2-12-20(18)13-19(21)22/h4-11,18H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyYNAXWIDPKTXJKS-UHFFFAOYSA-N
XLogP3.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
4-[2-(4-methoxyphenyl)azepan-1-yl]butanoic acid
CID 119134501
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100848998
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]acetic acid
CID 61327670
N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 174948159
2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
5-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 124687464

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid (CID 24845352) is 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid is COc1ccc(Oc2ccc(C3CCCN3CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is YNAXWIDPKTXJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-15-8-10-17(11-9-15)24-16-6-4-14(5-7-16)18-3-2-12-20(18)13-19(21)22/h4-11,18H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid?
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 24845352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).