2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid

C11H14N4O5 — CID 43521355

IUPAC2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H14N4O5/c16-8-5-7(12-11(20)13-8)10(19)15-3-1-14(2-4-15)6-9(17)18/h5H,1-4,6H2,(H,17,18)(H2,12,13,16,20)
InChIKeyXTFPYTVSTVKEIT-UHFFFAOYSA-N
MW282.26 g/mol
LogP-2.09
Rot. Bonds3

About 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid

2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 43521355) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid
PubChem CID43521355
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H14N4O5/c16-8-5-7(12-11(20)13-8)10(19)15-3-1-14(2-4-15)6-9(17)18/h5H,1-4,6H2,(H,17,18)(H2,12,13,16,20)
InChIKeyXTFPYTVSTVKEIT-UHFFFAOYSA-N
XLogP-2.09
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid (CID 43521355) is 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is XTFPYTVSTVKEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c16-8-5-7(12-11(20)13-8)10(19)15-3-1-14(2-4-15)6-9(17)18/h5H,1-4,6H2,(H,17,18)(H2,12,13,16,20).
What are the key properties of 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of -2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).