3-(3-pyrrolidin-3-ylphenoxy)propanoic acid

C13H17NO3 — CID 115040765

IUPAC3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
SMILESO=C(O)CCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C13H17NO3/c15-13(16)5-7-17-12-3-1-2-10(8-12)11-4-6-14-9-11/h1-3,8,11,14H,4-7,9H2,(H,15,16)
InChIKeyKFGYZOCPOWPBSJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.62
Rot. Bonds5

About 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid

3-(3-pyrrolidin-3-ylphenoxy)propanoic acid (PubChem CID 115040765) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
PubChem CID115040765
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(3-pyrrolidin-3-ylphenoxy)propanoic acid
SMILESO=C(O)CCOc1cccc(C2CCNC2)c1
InChIInChI=1S/C13H17NO3/c15-13(16)5-7-17-12-3-1-2-10(8-12)11-4-6-14-9-11/h1-3,8,11,14H,4-7,9H2,(H,15,16)
InChIKeyKFGYZOCPOWPBSJ-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-piperidin-3-ylphenoxy)acetic acid
CID 115040761
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-[3-(3,3-difluoropropoxy)phenyl]pyrrolidine
CID 84702599
3-[3-(2-fluoroethoxy)phenyl]piperidine
CID 84688599
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
5-methyl-2-phenyl-4-[2-[3-[(3R)-pyrrolidin-3-yl]phenoxy]ethyl]-1,3-oxazole
CID 142849494
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579
3-(3-butoxyphenyl)azetidine
CID 174622804
3-pyrrolidin-3-ylphenol
CID 12937992
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid?
The IUPAC name of 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid (CID 115040765) is 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid.
What is the SMILES notation for 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid?
The canonical SMILES for 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid is O=C(O)CCOc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid?
The InChIKey is KFGYZOCPOWPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)5-7-17-12-3-1-2-10(8-12)11-4-6-14-9-11/h1-3,8,11,14H,4-7,9H2,(H,15,16).
What are the key properties of 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid?
3-(3-pyrrolidin-3-ylphenoxy)propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-3-ylphenoxy)propanoic acid is sourced from PubChem (CID 115040765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).