2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid

C8H8N2O3 — CID 21209128

IUPAC2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid
SMILESCc1cccc(NC(=O)C(=O)O)n1
InChIInChI=1S/C8H8N2O3/c1-5-3-2-4-6(9-5)10-7(11)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChIKeyJFRJFGDUOKKSSI-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.41
Rot. Bonds1

About 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid

2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid (PubChem CID 21209128) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid
PubChem CID21209128
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid
SMILESCc1cccc(NC(=O)C(=O)O)n1
InChIInChI=1S/C8H8N2O3/c1-5-3-2-4-6(9-5)10-7(11)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChIKeyJFRJFGDUOKKSSI-UHFFFAOYSA-N
XLogP0.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid (CID 21209128) is 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid is Cc1cccc(NC(=O)C(=O)O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid?
The InChIKey is JFRJFGDUOKKSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5-3-2-4-6(9-5)10-7(11)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid?
2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid has a molecular weight of 180.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 21209128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).