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

C20H23NO3 — CID 51349016

IUPAC2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccccc1Oc1ccc(N2CC(C)CC2CC(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-14-11-17(12-20(22)23)21(13-14)16-7-9-18(10-8-16)24-19-6-4-3-5-15(19)2/h3-10,14,17H,11-13H2,1-2H3,(H,22,23)
InChIKeyWHJDTRXLGZNLSS-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.48
Rot. Bonds5

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

2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid (PubChem CID 51349016) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
PubChem CID51349016
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid
SMILESCc1ccccc1Oc1ccc(N2CC(C)CC2CC(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-14-11-17(12-20(22)23)21(13-14)16-7-9-18(10-8-16)24-19-6-4-3-5-15(19)2/h3-10,14,17H,11-13H2,1-2H3,(H,22,23)
InChIKeyWHJDTRXLGZNLSS-UHFFFAOYSA-N
XLogP4.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid (CID 51349016) is 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid is Cc1ccccc1Oc1ccc(N2CC(C)CC2CC(=O)O)cc1.
What is the InChIKey of 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is WHJDTRXLGZNLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-11-17(12-20(22)23)21(13-14)16-7-9-18(10-8-16)24-19-6-4-3-5-15(19)2/h3-10,14,17H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid?
2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-[4-(2-methylphenoxy)phenyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 51349016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).