2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid

C7H8N2O5 — CID 150287852

IUPAC2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid
SMILESCOn1cc(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c1-14-9-3-4(2-5(10)11)6(12)8-7(9)13/h3H,2H2,1H3,(H,10,11)(H,8,12,13)
InChIKeyGGYMDMAXRQASFI-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.78
Rot. Bonds3

About 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid

2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid (PubChem CID 150287852) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid
PubChem CID150287852
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid
SMILESCOn1cc(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c1-14-9-3-4(2-5(10)11)6(12)8-7(9)13/h3H,2H2,1H3,(H,10,11)(H,8,12,13)
InChIKeyGGYMDMAXRQASFI-UHFFFAOYSA-N
XLogP-1.78
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 ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid (CID 150287852) is 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid is COn1cc(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid?
The InChIKey is GGYMDMAXRQASFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-14-9-3-4(2-5(10)11)6(12)8-7(9)13/h3H,2H2,1H3,(H,10,11)(H,8,12,13).
What are the key properties of 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid?
2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid has a molecular weight of 200.15 g/mol, XLogP of -1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2,4-dioxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 150287852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).