2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid

C13H12N2O4 — CID 82571597

IUPAC2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
SMILESCOc1ccc2c(C(=O)NCC(=O)O)nccc2c1
InChIInChI=1S/C13H12N2O4/c1-19-9-2-3-10-8(6-9)4-5-14-12(10)13(18)15-7-11(16)17/h2-6H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyRKBMVIUHYCSKSF-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.06
Rot. Bonds4

About 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid

2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid (PubChem CID 82571597) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
PubChem CID82571597
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid
SMILESCOc1ccc2c(C(=O)NCC(=O)O)nccc2c1
InChIInChI=1S/C13H12N2O4/c1-19-9-2-3-10-8(6-9)4-5-14-12(10)13(18)15-7-11(16)17/h2-6H,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyRKBMVIUHYCSKSF-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

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Related Compounds

2-[(7-fluoroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571590
2-[(5-methoxyisoquinoline-1-carbonyl)amino]acetic acid
CID 82571596
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
2-[[4-(6-methoxy-1-oxoisoquinolin-2-yl)benzoyl]amino]acetic acid
CID 172839557
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
2-[[1-chloro-4-hydroxy-7-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid
CID 11177126
2-[[1-chloro-4-hydroxy-6-(4-methoxyphenoxy)isoquinoline-3-carbonyl]amino]acetic acid
CID 11429571
2-[(6-methoxyisoquinolin-1-yl)amino]-N-propylacetamide
CID 106537629
3-[(6-methoxyisoquinolin-1-yl)amino]pentanoic acid
CID 106536432
6-methoxyisoquinoline-1-carboximidamide
CID 82573378
2-[[4-hydroxy-7-(4-methoxy-3,5-dimethylphenoxy)isoquinoline-3-carbonyl]amino]acetic acid
CID 68784307
2-(6-methoxyisoquinolin-1-yl)-2-(methylamino)acetic acid
CID 116995460

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid (CID 82571597) is 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid is COc1ccc2c(C(=O)NCC(=O)O)nccc2c1.
What is the InChIKey of 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
The InChIKey is RKBMVIUHYCSKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-9-2-3-10-8(6-9)4-5-14-12(10)13(18)15-7-11(16)17/h2-6H,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid?
2-[(6-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-[(6-methoxyisoquinoline-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 82571597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).