2-[(3-methoxyquinolin-8-yl)amino]propanoic acid

C13H14N2O3 — CID 166651922

IUPAC2-[(3-methoxyquinolin-8-yl)amino]propanoic acid
SMILESCOc1cnc2c(NC(C)C(=O)O)cccc2c1
InChIInChI=1S/C13H14N2O3/c1-8(13(16)17)15-11-5-3-4-9-6-10(18-2)7-14-12(9)11/h3-8,15H,1-2H3,(H,16,17)
InChIKeyDKIWDQJWUTXJMV-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.13
Rot. Bonds4

About 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid

2-[(3-methoxyquinolin-8-yl)amino]propanoic acid (PubChem CID 166651922) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methoxyquinolin-8-yl)amino]propanoic acid
PubChem CID166651922
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[(3-methoxyquinolin-8-yl)amino]propanoic acid
SMILESCOc1cnc2c(NC(C)C(=O)O)cccc2c1
InChIInChI=1S/C13H14N2O3/c1-8(13(16)17)15-11-5-3-4-9-6-10(18-2)7-14-12(9)11/h3-8,15H,1-2H3,(H,16,17)
InChIKeyDKIWDQJWUTXJMV-UHFFFAOYSA-N
XLogP2.13
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid?
The IUPAC name of 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid (CID 166651922) is 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid?
The canonical SMILES for 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid is COc1cnc2c(NC(C)C(=O)O)cccc2c1.
What is the InChIKey of 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid?
The InChIKey is DKIWDQJWUTXJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(13(16)17)15-11-5-3-4-9-6-10(18-2)7-14-12(9)11/h3-8,15H,1-2H3,(H,16,17).
What are the key properties of 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid?
2-[(3-methoxyquinolin-8-yl)amino]propanoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyquinolin-8-yl)amino]propanoic acid is sourced from PubChem (CID 166651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).