2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid

C10H12N4O4 — CID 137015822

IUPAC2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H12N4O4/c15-8-4-7(12-5-13-8)14-2-1-11-10(18)6(14)3-9(16)17/h4-6H,1-3H2,(H,11,18)(H,16,17)(H,12,13,15)
InChIKeyLFHWSCZESDEDSC-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.45
Rot. Bonds3

About 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid

2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid (PubChem CID 137015822) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid
PubChem CID137015822
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H12N4O4/c15-8-4-7(12-5-13-8)14-2-1-11-10(18)6(14)3-9(16)17/h4-6H,1-3H2,(H,11,18)(H,16,17)(H,12,13,15)
InChIKeyLFHWSCZESDEDSC-UHFFFAOYSA-N
XLogP-1.45
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid?
The IUPAC name of 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid (CID 137015822) is 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid?
The canonical SMILES for 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid?
The InChIKey is LFHWSCZESDEDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c15-8-4-7(12-5-13-8)14-2-1-11-10(18)6(14)3-9(16)17/h4-6H,1-3H2,(H,11,18)(H,16,17)(H,12,13,15).
What are the key properties of 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid?
2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid has a molecular weight of 252.23 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-(6-oxo-1H-pyrimidin-4-yl)piperazin-2-yl]acetic acid is sourced from PubChem (CID 137015822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).