2-(2-oxopyrimidin-1-yl)acetic acid

C6H6N2O3 — CID 1096409

IUPAC2-(2-oxopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1cccnc1=O
InChIInChI=1S/C6H6N2O3/c9-5(10)4-8-3-1-2-7-6(8)11/h1-3H,4H2,(H,9,10)
InChIKeyKBXHYBZGGLURJU-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.67
Rot. Bonds2

About 2-(2-oxopyrimidin-1-yl)acetic acid

2-(2-oxopyrimidin-1-yl)acetic acid (PubChem CID 1096409) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-(2-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxopyrimidin-1-yl)acetic acid
PubChem CID1096409
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-(2-oxopyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1cccnc1=O
InChIInChI=1S/C6H6N2O3/c9-5(10)4-8-3-1-2-7-6(8)11/h1-3H,4H2,(H,9,10)
InChIKeyKBXHYBZGGLURJU-UHFFFAOYSA-N
XLogP-0.67
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2-oxopyrimidin-1-yl)acetic acid (CID 1096409) is 2-(2-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-oxopyrimidin-1-yl)acetic acid is O=C(O)Cn1cccnc1=O.
What is the InChIKey of 2-(2-oxopyrimidin-1-yl)acetic acid?
The InChIKey is KBXHYBZGGLURJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-5(10)4-8-3-1-2-7-6(8)11/h1-3H,4H2,(H,9,10).
What are the key properties of 2-(2-oxopyrimidin-1-yl)acetic acid?
2-(2-oxopyrimidin-1-yl)acetic acid has a molecular weight of 154.12 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 1096409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).