2-(1-aminoisoquinolin-7-yl)oxypentanoic acid

C14H16N2O3 — CID 142129089

IUPAC2-(1-aminoisoquinolin-7-yl)oxypentanoic acid
SMILESCCCC(Oc1ccc2ccnc(N)c2c1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-3-12(14(17)18)19-10-5-4-9-6-7-16-13(15)11(9)8-10/h4-8,12H,2-3H2,1H3,(H2,15,16)(H,17,18)
InChIKeyIRRHEDNSXYJBBB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.45
Rot. Bonds5

About 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid

2-(1-aminoisoquinolin-7-yl)oxypentanoic acid (PubChem CID 142129089) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid.

Molecular Properties

Compound Name2-(1-aminoisoquinolin-7-yl)oxypentanoic acid
PubChem CID142129089
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(1-aminoisoquinolin-7-yl)oxypentanoic acid
SMILESCCCC(Oc1ccc2ccnc(N)c2c1)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-2-3-12(14(17)18)19-10-5-4-9-6-7-16-13(15)11(9)8-10/h4-8,12H,2-3H2,1H3,(H2,15,16)(H,17,18)
InChIKeyIRRHEDNSXYJBBB-UHFFFAOYSA-N
XLogP2.45
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide
CID 67267856
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
2-(2-amino-4-methoxyphenoxy)pentanoic acid
CID 83037048
2-pyridin-2-yloxypentanoic acid
CID 69474855
tert-butyl (2S)-2-isoquinolin-7-yloxypentanoate
CID 124514510
tert-butyl N-[2-(1-aminoisoquinolin-7-yl)oxyethyl]carbamate
CID 22631368
2-[3-(2-aminobutyl)-4-bromophenoxy]pentanoic acid
CID 83048752
(2R)-2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]pentanoic acid
CID 129452128
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
2-[3-[(1R)-1-hydroxyethyl]phenoxy]pentanoic acid
CID 83042004

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid?
The IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid (CID 142129089) is 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid.
What is the SMILES notation for 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid?
The canonical SMILES for 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid is CCCC(Oc1ccc2ccnc(N)c2c1)C(=O)O.
What is the InChIKey of 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid?
The InChIKey is IRRHEDNSXYJBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-3-12(14(17)18)19-10-5-4-9-6-7-16-13(15)11(9)8-10/h4-8,12H,2-3H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid?
2-(1-aminoisoquinolin-7-yl)oxypentanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoisoquinolin-7-yl)oxypentanoic acid is sourced from PubChem (CID 142129089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).