3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid

C20H15NO2 — CID 82140892

IUPAC3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid
SMILESN#Cc1cccc(CC(C(=O)O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H15NO2/c21-13-15-6-3-5-14(11-15)12-19(20(22)23)18-10-4-8-16-7-1-2-9-17(16)18/h1-11,19H,12H2,(H,22,23)
InChIKeyTZCFHWHIBCCSMD-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.12
Rot. Bonds4

About 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid

3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid (PubChem CID 82140892) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid
PubChem CID82140892
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid
SMILESN#Cc1cccc(CC(C(=O)O)c2cccc3ccccc23)c1
InChIInChI=1S/C20H15NO2/c21-13-15-6-3-5-14(11-15)12-19(20(22)23)18-10-4-8-16-7-1-2-9-17(16)18/h1-11,19H,12H2,(H,22,23)
InChIKeyTZCFHWHIBCCSMD-UHFFFAOYSA-N
XLogP4.12
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyanophenyl)-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 82140909
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
CID 94734384
3-(3-cyanophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 10691192
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83955219
3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
CID 112720942
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
CID 102032186
3-(3-cyanophenyl)-N-(diaminomethylidene)-2-phenylpropanamide;hydrochloride
CID 90028612
(E,2R,3R)-2-[(3-cyanophenyl)methyl]-3-(naphthalene-1-carbonylamino)-5-phenylpent-4-enoic acid
CID 10813829
4-[1-cyano-2-(3-cyanophenyl)ethyl]benzoic acid
CID 82140925
3-(2-methyl-3-oxohexyl)benzonitrile
CID 54500073
2-(benzhydrylcarbamoylamino)-3-(3-cyanophenyl)propanoic acid
CID 57247181

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid?
The IUPAC name of 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid (CID 82140892) is 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid is N#Cc1cccc(CC(C(=O)O)c2cccc3ccccc23)c1.
What is the InChIKey of 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid?
The InChIKey is TZCFHWHIBCCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c21-13-15-6-3-5-14(11-15)12-19(20(22)23)18-10-4-8-16-7-1-2-9-17(16)18/h1-11,19H,12H2,(H,22,23).
What are the key properties of 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid?
3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid has a molecular weight of 301.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 82140892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).