2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid

C14H19NO3 — CID 79695614

IUPAC2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid
SMILESCCCC1CN(c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C14H19NO3/c1-2-3-11-8-15(9-11)12-4-6-13(7-5-12)18-10-14(16)17/h4-7,11H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyRLUSPBTUHLQNBE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.39
Rot. Bonds6

About 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid

2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid (PubChem CID 79695614) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid
PubChem CID79695614
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid
SMILESCCCC1CN(c2ccc(OCC(=O)O)cc2)C1
InChIInChI=1S/C14H19NO3/c1-2-3-11-8-15(9-11)12-4-6-13(7-5-12)18-10-14(16)17/h4-7,11H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyRLUSPBTUHLQNBE-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3,3-dimethoxyazetidin-1-yl)phenoxy]acetic acid
CID 79695508
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
2-[4-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]phenoxy]acetic acid;hydrochloride
CID 19602881
2-[4-(3-propylazetidin-1-yl)phenyl]ethanol
CID 104549222
2-[4-(4-methyl-2,6-dioxopiperidin-1-yl)phenoxy]acetic acid
CID 63770817
2-(4-docosoxyphenoxy)acetic acid
CID 139839551
2-[4-[4-[amino(piperidin-4-yl)methyl]piperidin-1-yl]phenoxy]acetic acid
CID 67597157
2-(4-phosphanylphenoxy)acetic acid
CID 143227716
2-[4-(3-ethylazetidin-1-yl)phenyl]acetic acid
CID 79687346
2-(4-chlorophenoxy)-N-[[1-(4-methoxyphenyl)azetidin-3-yl]methyl]acetamide
CID 137380565
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
2-[3-(3-tert-butylazetidin-1-yl)phenoxy]acetic acid
CID 79694734

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid (CID 79695614) is 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid is CCCC1CN(c2ccc(OCC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid?
The InChIKey is RLUSPBTUHLQNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-11-8-15(9-11)12-4-6-13(7-5-12)18-10-14(16)17/h4-7,11H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid?
2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propylazetidin-1-yl)phenoxy]acetic acid is sourced from PubChem (CID 79695614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).