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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Related Compounds

5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020
2-[1-(anilinomethyl)-2,4-dioxopyrimidin-5-yl]acetic acid
CID 69228891
2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 83851930
2-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 14776496
2-(2,4-dioxo-5-prop-2-enylpyrimidin-1-yl)acetic acid
CID 22465274
4-[(5-ethyl-2,4-dioxopyrimidin-1-yl)methyl]benzoic acid
CID 66328535
2-[1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetic acid
CID 57091267
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
CID 79395673
2-(1-methyl-2,4-dioxopyrimidin-5-yl)oxyacetic acid
CID 21087714
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
5-ethyl-1-(2-oxopentyl)pyrimidine-2,4-dione
CID 66329519

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).