2-(2-methoxypyrimidin-5-yl)acetic acid

C7H8N2O3 — CID 55268291

IUPAC2-(2-methoxypyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)cn1
InChIInChI=1S/C7H8N2O3/c1-12-7-8-3-5(4-9-7)2-6(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyKNXKXKYJAXTUIB-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.11
Rot. Bonds3

About 2-(2-methoxypyrimidin-5-yl)acetic acid

2-(2-methoxypyrimidin-5-yl)acetic acid (PubChem CID 55268291) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(2-methoxypyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxypyrimidin-5-yl)acetic acid
PubChem CID55268291
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(2-methoxypyrimidin-5-yl)acetic acid
SMILESCOc1ncc(CC(=O)O)cn1
InChIInChI=1S/C7H8N2O3/c1-12-7-8-3-5(4-9-7)2-6(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyKNXKXKYJAXTUIB-UHFFFAOYSA-N
XLogP0.11
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2-methoxypyrimidin-5-yl)acetic acid (CID 55268291) is 2-(2-methoxypyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxypyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2-methoxypyrimidin-5-yl)acetic acid is COc1ncc(CC(=O)O)cn1.
What is the InChIKey of 2-(2-methoxypyrimidin-5-yl)acetic acid?
The InChIKey is KNXKXKYJAXTUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7-8-3-5(4-9-7)2-6(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 2-(2-methoxypyrimidin-5-yl)acetic acid?
2-(2-methoxypyrimidin-5-yl)acetic acid has a molecular weight of 168.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypyrimidin-5-yl)acetic acid is sourced from PubChem (CID 55268291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).