2-(4-pyrrolidin-3-ylphenoxy)acetic acid

C12H15NO3 — CID 115032579

IUPAC2-(4-pyrrolidin-3-ylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(C2CCNC2)cc1
InChIInChI=1S/C12H15NO3/c14-12(15)8-16-11-3-1-9(2-4-11)10-5-6-13-7-10/h1-4,10,13H,5-8H2,(H,14,15)
InChIKeyVIMUJTQDXZQWNX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.23
Rot. Bonds4

About 2-(4-pyrrolidin-3-ylphenoxy)acetic acid

2-(4-pyrrolidin-3-ylphenoxy)acetic acid (PubChem CID 115032579) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-pyrrolidin-3-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-pyrrolidin-3-ylphenoxy)acetic acid
PubChem CID115032579
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(4-pyrrolidin-3-ylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(C2CCNC2)cc1
InChIInChI=1S/C12H15NO3/c14-12(15)8-16-11-3-1-9(2-4-11)10-5-6-13-7-10/h1-4,10,13H,5-8H2,(H,14,15)
InChIKeyVIMUJTQDXZQWNX-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2-(4-piperidin-3-ylphenoxy)acetamide
CID 117100144
2-(3-piperidin-3-ylphenoxy)acetic acid
CID 115040761
(E)-3-(4-pyrrolidin-3-ylphenyl)prop-2-enoic acid
CID 116988470
2-phenoxyacetic acid;piperazine
CID 54610102
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
CID 115040765
methyl 2-(4-pyrrolidin-3-ylphenyl)acetate
CID 117275092
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
3-[(4-piperidin-3-ylphenoxy)methyl]benzoic acid
CID 117100164
4-(4-pyrrolidin-3-ylphenoxy)aniline
CID 116996705
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-3-ylphenoxy)acetic acid?
The IUPAC name of 2-(4-pyrrolidin-3-ylphenoxy)acetic acid (CID 115032579) is 2-(4-pyrrolidin-3-ylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-pyrrolidin-3-ylphenoxy)acetic acid?
The canonical SMILES for 2-(4-pyrrolidin-3-ylphenoxy)acetic acid is O=C(O)COc1ccc(C2CCNC2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-3-ylphenoxy)acetic acid?
The InChIKey is VIMUJTQDXZQWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)8-16-11-3-1-9(2-4-11)10-5-6-13-7-10/h1-4,10,13H,5-8H2,(H,14,15).
What are the key properties of 2-(4-pyrrolidin-3-ylphenoxy)acetic acid?
2-(4-pyrrolidin-3-ylphenoxy)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-3-ylphenoxy)acetic acid is sourced from PubChem (CID 115032579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).