2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C20H23NO3 — CID 139611330

IUPAC2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(CCCc1ccccn1)C2
InChIInChI=1S/C20H23NO3/c22-20(23)14-24-19-9-4-6-16-13-15(10-11-18(16)19)5-3-8-17-7-1-2-12-21-17/h1-2,4,6-7,9,12,15H,3,5,8,10-11,13-14H2,(H,22,23)
InChIKeyJNNITFHQJCCPFF-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.67
Rot. Bonds7

About 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 139611330) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID139611330
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(CCCc1ccccn1)C2
InChIInChI=1S/C20H23NO3/c22-20(23)14-24-19-9-4-6-16-13-15(10-11-18(16)19)5-3-8-17-7-1-2-12-21-17/h1-2,4,6-7,9,12,15H,3,5,8,10-11,13-14H2,(H,22,23)
InChIKeyJNNITFHQJCCPFF-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid with MolForge

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Related Compounds

2-[[6-(3-hydroxypropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19004218
2-[[6-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355312
2-[[6-(4-benzhydryloxyhexyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 54498262
2-[[(7S)-7-undecyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 144530116
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
CID 69023524
2-[[6-[[3,3-diphenylpropanoyl(methyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355363
2-[[6-[(3-benzhydrylpyrazol-1-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 10718466
2-[[6-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 23355372
2-[[6-[2-[[2-(N-benzylanilino)acetyl]-methylamino]ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 15230242
2-[[6-[[(2-amino-2,2-diphenylacetyl)-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 67710383
2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 54557588
2-[[6-[[(2-cyclopentyl-1-pyridin-3-ylethenyl)amino]oxymethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 57124700

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 139611330) is 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCC(CCCc1ccccn1)C2.
What is the InChIKey of 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is JNNITFHQJCCPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-20(23)14-24-19-9-4-6-16-13-15(10-11-18(16)19)5-3-8-17-7-1-2-12-21-17/h1-2,4,6-7,9,12,15H,3,5,8,10-11,13-14H2,(H,22,23).
What are the key properties of 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 139611330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).