2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid

C11H9FN2O2 — CID 82570911

IUPAC2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid
SMILESO=C(O)CNc1nccc2c(F)cccc12
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-2-8-7(9)4-5-13-11(8)14-6-10(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyMELAOEDEDWDIRB-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.87
Rot. Bonds3

About 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid

2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid (PubChem CID 82570911) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid
PubChem CID82570911
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid
SMILESO=C(O)CNc1nccc2c(F)cccc12
InChIInChI=1S/C11H9FN2O2/c12-9-3-1-2-8-7(9)4-5-13-11(8)14-6-10(15)16/h1-5H,6H2,(H,13,14)(H,15,16)
InChIKeyMELAOEDEDWDIRB-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methylisoquinolin-1-yl)amino]acetic acid
CID 82570882
2-[(6-chloroisoquinolin-1-yl)amino]acetic acid
CID 82571044
2-[(5,6-dimethoxyisoquinolin-1-yl)amino]acetic acid
CID 82571193
1-[(2-methoxy-2-oxoethyl)amino]isoquinoline-5-carboxylic acid
CID 82571116
2-[(7-aminoisoquinolin-1-yl)amino]acetic acid
CID 82570060
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
3-[(5-cyanoisoquinolin-1-yl)amino]propanoic acid
CID 82570969
1-(2-hydroxyethylamino)isoquinoline-5-carboxylic acid
CID 82571100
2-[(6-nitroisoquinolin-1-yl)amino]acetic acid
CID 82571164
2-[(3-fluoro-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 62734537
2-[(4-methylphthalazin-1-yl)amino]acetic acid
CID 43419809
2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid
CID 82571312

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid?
The IUPAC name of 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid (CID 82570911) is 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid is O=C(O)CNc1nccc2c(F)cccc12.
What is the InChIKey of 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid?
The InChIKey is MELAOEDEDWDIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c12-9-3-1-2-8-7(9)4-5-13-11(8)14-6-10(15)16/h1-5H,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid?
2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid has a molecular weight of 220.20 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoroisoquinolin-1-yl)amino]acetic acid is sourced from PubChem (CID 82570911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).