4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid

C13H17NO2 — CID 67780838

IUPAC4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
SMILESO=C(O)CCCC1CCNc2ccccc21
InChIInChI=1S/C13H17NO2/c15-13(16)7-3-4-10-8-9-14-12-6-2-1-5-11(10)12/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16)
InChIKeyBNMANYPDSLDSJV-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.84
Rot. Bonds4

About 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid

4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid (PubChem CID 67780838) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
PubChem CID67780838
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid
SMILESO=C(O)CCCC1CCNc2ccccc21
InChIInChI=1S/C13H17NO2/c15-13(16)7-3-4-10-8-9-14-12-6-2-1-5-11(10)12/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16)
InChIKeyBNMANYPDSLDSJV-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid (CID 67780838) is 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid is O=C(O)CCCC1CCNc2ccccc21.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid?
The InChIKey is BNMANYPDSLDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)7-3-4-10-8-9-14-12-6-2-1-5-11(10)12/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16).
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid?
4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-4-yl)butanoic acid is sourced from PubChem (CID 67780838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).