3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

C18H19NO2 — CID 83956018

IUPAC3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ccncc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19NO2/c20-18(21)17(11-13-7-9-19-10-8-13)16-6-5-14-3-1-2-4-15(14)12-16/h5-10,12,17H,1-4,11H2,(H,20,21)
InChIKeyQJKASAKECQVDRJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.37
Rot. Bonds4

About 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 83956018) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID83956018
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESO=C(O)C(Cc1ccncc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19NO2/c20-18(21)17(11-13-7-9-19-10-8-13)16-6-5-14-3-1-2-4-15(14)12-16/h5-10,12,17H,1-4,11H2,(H,20,21)
InChIKeyQJKASAKECQVDRJ-UHFFFAOYSA-N
XLogP3.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
3-(3-hydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83956089
2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 116824978
(2S)-2-(4-aminophenyl)-3-pyridin-4-ylpropanoic acid
CID 39346452
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2-(2,3-dihydro-1H-inden-5-yl)-3-(dimethylamino)propanoic acid
CID 82082804
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
N-methyl-2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116824902
2-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 82093557
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105152473

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (CID 83956018) is 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is O=C(O)C(Cc1ccncc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is QJKASAKECQVDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21)17(11-13-7-9-19-10-8-13)16-6-5-14-3-1-2-4-15(14)12-16/h5-10,12,17H,1-4,11H2,(H,20,21).
What are the key properties of 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 281.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 83956018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).