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

C9H9BrN2O4 — CID 43132365

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H9BrN2O4/c10-6-1-2-8(14)12(4-6)5-7(13)11-3-9(15)16/h1-2,4H,3,5H2,(H,11,13)(H,15,16)
InChIKeyUVFBZCJFQIXVLJ-UHFFFAOYSA-N
MW289.08 g/mol
LogP-0.19
Rot. Bonds4

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

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid (PubChem CID 43132365) has the molecular formula C9H9BrN2O4 and a molecular weight of 289.08 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid
PubChem CID43132365
Molecular FormulaC9H9BrN2O4
Molecular Weight289.08 g/mol
Exact Mass287.97
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H9BrN2O4/c10-6-1-2-8(14)12(4-6)5-7(13)11-3-9(15)16/h1-2,4H,3,5H2,(H,11,13)(H,15,16)
InChIKeyUVFBZCJFQIXVLJ-UHFFFAOYSA-N
XLogP-0.19
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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]amino]acetic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid (CID 43132365) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid?
The InChIKey is UVFBZCJFQIXVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O4/c10-6-1-2-8(14)12(4-6)5-7(13)11-3-9(15)16/h1-2,4H,3,5H2,(H,11,13)(H,15,16).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetic acid has a molecular weight of 289.08 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 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]amino]acetic acid is sourced from PubChem (CID 43132365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).