2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid

C8H9N3O4 — CID 135408644

IUPAC2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESCC(=O)Nc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H9N3O4/c1-4(12)9-8-10-5(3-7(14)15)2-6(13)11-8/h2H,3H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyRCFKJNDNIGFJHI-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.64
Rot. Bonds3

About 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid

2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid (PubChem CID 135408644) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid
PubChem CID135408644
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid
SMILESCC(=O)Nc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H9N3O4/c1-4(12)9-8-10-5(3-7(14)15)2-6(13)11-8/h2H,3H2,1H3,(H,14,15)(H2,9,10,11,12,13)
InChIKeyRCFKJNDNIGFJHI-UHFFFAOYSA-N
XLogP-0.64
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid (CID 135408644) is 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid is CC(=O)Nc1nc(CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid?
The InChIKey is RCFKJNDNIGFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-4(12)9-8-10-5(3-7(14)15)2-6(13)11-8/h2H,3H2,1H3,(H,14,15)(H2,9,10,11,12,13).
What are the key properties of 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid?
2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid has a molecular weight of 211.18 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-6-oxo-1H-pyrimidin-4-yl)acetic acid is sourced from PubChem (CID 135408644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).