2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid

C13H12N2O4 — CID 82571596

IUPAC2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
SMILESCOc1cccc2c(C(=O)NCC(=O)O)nccc12
InChIInChI=1S/C13H12N2O4/c1-19-10-4-2-3-9-8(10)5-6-14-12(9)13(18)15-7-11(16)17/h2-6H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyAPLJUWLUYFMXPZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.06
Rot. Bonds4

About 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid

2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid (PubChem CID 82571596) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
PubChem CID82571596
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
SMILESCOc1cccc2c(C(=O)NCC(=O)O)nccc12
InChIInChI=1S/C13H12N2O4/c1-19-10-4-2-3-9-8(10)5-6-14-12(9)13(18)15-7-11(16)17/h2-6H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyAPLJUWLUYFMXPZ-UHFFFAOYSA-N
XLogP1.06
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-5-methoxyisoquinoline-1-carboxamide
CID 82574351
2-[(5-chloroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571599
2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571597
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
2-[(5-methoxyisoquinolin-1-yl)-methylamino]acetic acid
CID 82571004
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
2-[(5-methoxyisoquinolin-1-yl)amino]-2-methylbutanoic acid
CID 106536335
2-[(5,6-dimethoxyisoquinolin-1-yl)amino]acetic acid
CID 82571193
3-(5-methoxyisoquinolin-1-yl)sulfanylbutanoic acid
CID 106536837
5-methoxyisoquinoline-1-carboximidamide
CID 82573377
2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid (CID 82571596) is 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid is COc1cccc2c(C(=O)NCC(=O)O)nccc12.
What is the InChIKey of 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
The InChIKey is APLJUWLUYFMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-10-4-2-3-9-8(10)5-6-14-12(9)13(18)15-7-11(16)17/h2-6H,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 82571596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).