2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid

C15H21NO4 — CID 117447792

IUPAC2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid
SMILESCOc1c(OC2CCCNC2)cccc1C(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-10(15(17)18)12-6-3-7-13(14(12)19-2)20-11-5-4-8-16-9-11/h3,6-7,10-11,16H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeyKTUCCEJLCOGXGV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.01
Rot. Bonds5

About 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid

2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid (PubChem CID 117447792) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid
PubChem CID117447792
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid
SMILESCOc1c(OC2CCCNC2)cccc1C(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-10(15(17)18)12-6-3-7-13(14(12)19-2)20-11-5-4-8-16-9-11/h3,6-7,10-11,16H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeyKTUCCEJLCOGXGV-UHFFFAOYSA-N
XLogP2.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 117381500
1-[1-(2-methoxy-3-piperidin-3-yloxyphenyl)cyclopropyl]ethanamine
CID 117469553
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
1-(2-methoxy-3-piperidin-3-yloxyphenyl)-2-methylpropan-2-amine
CID 117446650
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
2-[2-(thiolan-3-yloxy)phenyl]propanoic acid
CID 115005219
3-[2-(1-fluoroethyl)-6-methoxyphenyl]piperidine
CID 84700224
3-fluoro-4-piperidin-3-yloxybenzoic acid
CID 117096713

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid (CID 117447792) is 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid is COc1c(OC2CCCNC2)cccc1C(C)C(=O)O.
What is the InChIKey of 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid?
The InChIKey is KTUCCEJLCOGXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(15(17)18)12-6-3-7-13(14(12)19-2)20-11-5-4-8-16-9-11/h3,6-7,10-11,16H,4-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid?
2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid is sourced from PubChem (CID 117447792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).