2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid

C12H11N3O3 — CID 104614064

IUPAC2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccc2nccnc12
InChIInChI=1S/C12H11N3O3/c1-15(7-10(16)17)12(18)8-3-2-4-9-11(8)14-6-5-13-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyRBYMUBHOGDKUMV-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.79
Rot. Bonds3

About 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid

2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid (PubChem CID 104614064) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
PubChem CID104614064
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccc2nccnc12
InChIInChI=1S/C12H11N3O3/c1-15(7-10(16)17)12(18)8-3-2-4-9-11(8)14-6-5-13-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyRBYMUBHOGDKUMV-UHFFFAOYSA-N
XLogP0.79
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid (CID 104614064) is 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)c1cccc2nccnc12.
What is the InChIKey of 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid?
The InChIKey is RBYMUBHOGDKUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-15(7-10(16)17)12(18)8-3-2-4-9-11(8)14-6-5-13-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid?
2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid has a molecular weight of 245.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinoxaline-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 104614064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).