2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

C8H8N2O6 — CID 140535962

IUPAC2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(=O)n(CC(=O)O)c1=O
InChIInChI=1S/C8H8N2O6/c11-5(12)1-4-2-9-8(16)10(7(4)15)3-6(13)14/h2H,1,3H2,(H,9,16)(H,11,12)(H,13,14)
InChIKeyAXNHRHCZQFFZEZ-UHFFFAOYSA-N
MW228.16 g/mol
LogP-1.75
Rot. Bonds4

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

2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 140535962) has the molecular formula C8H8N2O6 and a molecular weight of 228.16 g/mol. Its IUPAC name is 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID140535962
Molecular FormulaC8H8N2O6
Molecular Weight228.16 g/mol
Exact Mass228.04
IUPAC Name2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(=O)n(CC(=O)O)c1=O
InChIInChI=1S/C8H8N2O6/c11-5(12)1-4-2-9-8(16)10(7(4)15)3-6(13)14/h2H,1,3H2,(H,9,16)(H,11,12)(H,13,14)
InChIKeyAXNHRHCZQFFZEZ-UHFFFAOYSA-N
XLogP-1.75
TPSA129.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Uracil-5-ylacetic acid
CID 298035
Carboxymethyl aminomethyl uracil
CID 66597927
2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid
CID 174396089
2-(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)acetic acid
CID 14644803
(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690732
2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 54529873
2-[1-(Aminomethyl)-2,4-dioxopyrimidin-5-yl]acetic acid
CID 54254925
2-(5-Ethyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 66327940
2-Amino-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-4-oxobutanoic acid
CID 68256276
2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 69731420
2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-(methylamino)acetic acid
CID 132190726
disodium;2-[3-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate
CID 140535961

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (CID 140535962) is 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is O=C(O)Cc1c[nH]c(=O)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is AXNHRHCZQFFZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O6/c11-5(12)1-4-2-9-8(16)10(7(4)15)3-6(13)14/h2H,1,3H2,(H,9,16)(H,11,12)(H,13,14).
What are the key properties of 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 228.16 g/mol, XLogP of -1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 140535962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).