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

C7H8N2O5 — CID 57136520

IUPAC3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c10-4(6(12)13)1-3-2-8-7(14)9-5(3)11/h2,4,10H,1H2,(H,12,13)(H2,8,9,11,14)
InChIKeyQXABAINQWXBUFW-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.95
Rot. Bonds3

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

3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid (PubChem CID 57136520) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid
PubChem CID57136520
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O5/c10-4(6(12)13)1-3-2-8-7(14)9-5(3)11/h2,4,10H,1H2,(H,12,13)(H2,8,9,11,14)
InChIKeyQXABAINQWXBUFW-UHFFFAOYSA-N
XLogP-1.95
TPSA123.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid (CID 57136520) is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid is O=C(O)C(O)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid?
The InChIKey is QXABAINQWXBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c10-4(6(12)13)1-3-2-8-7(14)9-5(3)11/h2,4,10H,1H2,(H,12,13)(H2,8,9,11,14).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid?
3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid has a molecular weight of 200.15 g/mol, XLogP of -1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 57136520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).