2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

C8H8N2O6 — CID 150164704

IUPAC2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C8H8N2O6/c11-5(12)1-3-4(2-6(13)14)9-8(16)10-7(3)15/h1-2H2,(H,11,12)(H,13,14)(H2,9,10,15,16)
InChIKeyFIDQZHVCXINHLJ-UHFFFAOYSA-N
MW228.16 g/mol
LogP-1.68
Rot. Bonds4

About 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 150164704) has the molecular formula C8H8N2O6 and a molecular weight of 228.16 g/mol. Its IUPAC name is 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID150164704
Molecular FormulaC8H8N2O6
Molecular Weight228.16 g/mol
Exact Mass228.04
IUPAC Name2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O
InChIInChI=1S/C8H8N2O6/c11-5(12)1-3-4(2-6(13)14)9-8(16)10-7(3)15/h1-2H2,(H,11,12)(H,13,14)(H2,9,10,15,16)
InChIKeyFIDQZHVCXINHLJ-UHFFFAOYSA-N
XLogP-1.68
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 743202
Ethyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 740354
Butyl 2-(6-methyl-2,4-dioxo-1,3-dihydropyrimidin-5-yl)acetate
CID 1952115
2-[6-(2-amino-2-oxoethyl)-3-(3-fluoropropyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 71019130
2-(2,6-Dimethyl-4-oxo-1,2,3-trihydropyrimidin-5-yl)acetic acid
CID 23794838
2-(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
CID 14644804
Methyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 50888656
2-(5-methyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 70284120
2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150959935
2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150964492
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid;methyl 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetate
CID 158182724
disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate
CID 158367585

Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (CID 150164704) is 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is O=C(O)Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)O.
What is the InChIKey of 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is FIDQZHVCXINHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O6/c11-5(12)1-3-4(2-6(13)14)9-8(16)10-7(3)15/h1-2H2,(H,11,12)(H,13,14)(H2,9,10,15,16).
What are the key properties of 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 228.16 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 150164704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).