3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid

C13H17NO2 — CID 81009137

IUPAC3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
SMILESCC(CC(=O)O)C1CCCc2cccnc21
InChIInChI=1S/C13H17NO2/c1-9(8-12(15)16)11-6-2-4-10-5-3-7-14-13(10)11/h3,5,7,9,11H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyBWRHCCDFRFGATA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds3

About 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid

3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid (PubChem CID 81009137) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
PubChem CID81009137
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
SMILESCC(CC(=O)O)C1CCCc2cccnc21
InChIInChI=1S/C13H17NO2/c1-9(8-12(15)16)11-6-2-4-10-5-3-7-14-13(10)11/h3,5,7,9,11H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyBWRHCCDFRFGATA-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
8-butan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-2-yl-5,6,7,8-tetrahydroquinoline;8-pentan-3-yl-5,6,7,8-tetrahydroquinoline
CID 67126899
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
2-phenoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79745977
4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 103089942
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid?
The IUPAC name of 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid (CID 81009137) is 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid?
The canonical SMILES for 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid is CC(CC(=O)O)C1CCCc2cccnc21.
What is the InChIKey of 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid?
The InChIKey is BWRHCCDFRFGATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(8-12(15)16)11-6-2-4-10-5-3-7-14-13(10)11/h3,5,7,9,11H,2,4,6,8H2,1H3,(H,15,16).
What are the key properties of 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid?
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid is sourced from PubChem (CID 81009137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).