2-(2-pyrrolidin-1-yloxyphenyl)acetic acid

C12H15NO3 — CID 18673212

IUPAC2-(2-pyrrolidin-1-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1ON1CCCC1
InChIInChI=1S/C12H15NO3/c14-12(15)9-10-5-1-2-6-11(10)16-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyNRQDPQZSJDFILX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.70
Rot. Bonds4

About 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid

2-(2-pyrrolidin-1-yloxyphenyl)acetic acid (PubChem CID 18673212) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-yloxyphenyl)acetic acid
PubChem CID18673212
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2-pyrrolidin-1-yloxyphenyl)acetic acid
SMILESO=C(O)Cc1ccccc1ON1CCCC1
InChIInChI=1S/C12H15NO3/c14-12(15)9-10-5-1-2-6-11(10)16-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyNRQDPQZSJDFILX-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid?
The IUPAC name of 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid (CID 18673212) is 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid is O=C(O)Cc1ccccc1ON1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid?
The InChIKey is NRQDPQZSJDFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)9-10-5-1-2-6-11(10)16-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2,(H,14,15).
What are the key properties of 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid?
2-(2-pyrrolidin-1-yloxyphenyl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-yloxyphenyl)acetic acid is sourced from PubChem (CID 18673212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).