2-amino-5-quinolin-6-yloxypentanoic acid

C14H16N2O3 — CID 112519211

IUPAC2-amino-5-quinolin-6-yloxypentanoic acid
SMILESNC(CCCOc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O3/c15-12(14(17)18)4-2-8-19-11-5-6-13-10(9-11)3-1-7-16-13/h1,3,5-7,9,12H,2,4,8,15H2,(H,17,18)
InChIKeyLQWWLULLSSJJJF-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.81
Rot. Bonds6

About 2-amino-5-quinolin-6-yloxypentanoic acid

2-amino-5-quinolin-6-yloxypentanoic acid (PubChem CID 112519211) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-amino-5-quinolin-6-yloxypentanoic acid.

Molecular Properties

Compound Name2-amino-5-quinolin-6-yloxypentanoic acid
PubChem CID112519211
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-amino-5-quinolin-6-yloxypentanoic acid
SMILESNC(CCCOc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O3/c15-12(14(17)18)4-2-8-19-11-5-6-13-10(9-11)3-1-7-16-13/h1,3,5-7,9,12H,2,4,8,15H2,(H,17,18)
InChIKeyLQWWLULLSSJJJF-UHFFFAOYSA-N
XLogP1.81
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-quinolin-6-yloxybutanoic acid
CID 82130669
2-aminopentanoic acid;quinolin-6-amine
CID 174833592
2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
6-tridecoxyquinoline
CID 174908858
1-quinolin-6-yloxypropan-2-amine
CID 86262441
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
2-amino-4-(2-naphthalen-2-yloxyethylsulfanyl)butanoic acid
CID 60929137
3-phenoxy-1-quinolin-6-ylpropan-1-amine
CID 78924724
4-(2-quinolin-6-yloxyethoxy)benzonitrile
CID 56799582
3-(3-quinolin-6-yloxypropyl)-1H-indole-2-carboxylic acid
CID 71545646
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid
CID 43427140

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-quinolin-6-yloxypentanoic acid?
The IUPAC name of 2-amino-5-quinolin-6-yloxypentanoic acid (CID 112519211) is 2-amino-5-quinolin-6-yloxypentanoic acid.
What is the SMILES notation for 2-amino-5-quinolin-6-yloxypentanoic acid?
The canonical SMILES for 2-amino-5-quinolin-6-yloxypentanoic acid is NC(CCCOc1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 2-amino-5-quinolin-6-yloxypentanoic acid?
The InChIKey is LQWWLULLSSJJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-12(14(17)18)4-2-8-19-11-5-6-13-10(9-11)3-1-7-16-13/h1,3,5-7,9,12H,2,4,8,15H2,(H,17,18).
What are the key properties of 2-amino-5-quinolin-6-yloxypentanoic acid?
2-amino-5-quinolin-6-yloxypentanoic acid has a molecular weight of 260.29 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-quinolin-6-yloxypentanoic acid is sourced from PubChem (CID 112519211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).