2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid

C7H8N2O5 — CID 66603770

IUPAC2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
SMILESCOc1c[nH]c(=O)n(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O5/c1-14-4-2-8-7(13)9(6(4)12)3-5(10)11/h2H,3H2,1H3,(H,8,13)(H,10,11)
InChIKeyHVMIAGWDBMOMBL-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.37
Rot. Bonds3

About 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid

2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid (PubChem CID 66603770) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
PubChem CID66603770
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid
SMILESCOc1c[nH]c(=O)n(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O5/c1-14-4-2-8-7(13)9(6(4)12)3-5(10)11/h2H,3H2,1H3,(H,8,13)(H,10,11)
InChIKeyHVMIAGWDBMOMBL-UHFFFAOYSA-N
XLogP-1.37
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid (CID 66603770) is 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid is COc1c[nH]c(=O)n(CC(=O)O)c1=O.
What is the InChIKey of 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
The InChIKey is HVMIAGWDBMOMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-14-4-2-8-7(13)9(6(4)12)3-5(10)11/h2H,3H2,1H3,(H,8,13)(H,10,11).
What are the key properties of 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid?
2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid has a molecular weight of 200.15 g/mol, XLogP of -1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2,4-dioxo-1H-pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 66603770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).