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

C12H16N4O5 — CID 43521391

IUPAC2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O5/c17-9-5-8(13-12(21)14-9)6-10(18)16-3-1-15(2-4-16)7-11(19)20/h5H,1-4,6-7H2,(H,19,20)(H2,13,14,17,21)
InChIKeyVLNRKVMRTLHGQA-UHFFFAOYSA-N
MW296.28 g/mol
LogP-2.17
Rot. Bonds4

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

2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid (PubChem CID 43521391) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid
PubChem CID43521391
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C12H16N4O5/c17-9-5-8(13-12(21)14-9)6-10(18)16-3-1-15(2-4-16)7-11(19)20/h5H,1-4,6-7H2,(H,19,20)(H2,13,14,17,21)
InChIKeyVLNRKVMRTLHGQA-UHFFFAOYSA-N
XLogP-2.17
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 2149952
2-(2,4-dioxo-1H-pyrimidin-6-yl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
CID 91074666
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-[6-Methyl-3-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]ethyl]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 11632041
6-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 58735698
6-[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 2149951
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 43354559
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43355430
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
CID 43356391
2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465493
2-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]acetic acid
CID 43521355
3-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]propanoic acid
CID 43522055

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid (CID 43521391) is 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is VLNRKVMRTLHGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c17-9-5-8(13-12(21)14-9)6-10(18)16-3-1-15(2-4-16)7-11(19)20/h5H,1-4,6-7H2,(H,19,20)(H2,13,14,17,21).
What are the key properties of 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 296.28 g/mol, XLogP of -2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).