4-[methyl(quinoxalin-2-yl)amino]butanoic acid

C13H15N3O2 — CID 62361159

IUPAC4-[methyl(quinoxalin-2-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-16(8-4-7-13(17)18)12-9-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,18)
InChIKeyQRHYHSHDUOUGLK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.93
Rot. Bonds5

About 4-[methyl(quinoxalin-2-yl)amino]butanoic acid

4-[methyl(quinoxalin-2-yl)amino]butanoic acid (PubChem CID 62361159) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[methyl(quinoxalin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(quinoxalin-2-yl)amino]butanoic acid
PubChem CID62361159
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[methyl(quinoxalin-2-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N3O2/c1-16(8-4-7-13(17)18)12-9-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,18)
InChIKeyQRHYHSHDUOUGLK-UHFFFAOYSA-N
XLogP1.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(quinoxalin-2-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl(quinoxalin-2-yl)amino]butanoic acid (CID 62361159) is 4-[methyl(quinoxalin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(quinoxalin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(quinoxalin-2-yl)amino]butanoic acid is CN(CCCC(=O)O)c1cnc2ccccc2n1.
What is the InChIKey of 4-[methyl(quinoxalin-2-yl)amino]butanoic acid?
The InChIKey is QRHYHSHDUOUGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(8-4-7-13(17)18)12-9-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,9H,4,7-8H2,1H3,(H,17,18).
What are the key properties of 4-[methyl(quinoxalin-2-yl)amino]butanoic acid?
4-[methyl(quinoxalin-2-yl)amino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(quinoxalin-2-yl)amino]butanoic acid is sourced from PubChem (CID 62361159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).