2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid

C11H13BrN2O4 — CID 54901373

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H13BrN2O4/c1-2-13(7-11(17)18)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,2,6-7H2,1H3,(H,17,18)
InChIKeyHMEJUHPTPMBYSG-UHFFFAOYSA-N
MW317.14 g/mol
LogP0.54
Rot. Bonds5

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid (PubChem CID 54901373) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid
PubChem CID54901373
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H13BrN2O4/c1-2-13(7-11(17)18)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,2,6-7H2,1H3,(H,17,18)
InChIKeyHMEJUHPTPMBYSG-UHFFFAOYSA-N
XLogP0.54
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid (CID 54901373) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid?
The InChIKey is HMEJUHPTPMBYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c1-2-13(7-11(17)18)10(16)6-14-5-8(12)3-4-9(14)15/h3-5H,2,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid has a molecular weight of 317.14 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-ethylamino]acetic acid is sourced from PubChem (CID 54901373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).