2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid

C11H14N4O5 — CID 136958965

IUPAC2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1c(N2CCNC(=O)C2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H14N4O5/c1-20-8-9(13-5-14-11(8)19)15-3-2-12-10(18)6(15)4-7(16)17/h5-6H,2-4H2,1H3,(H,12,18)(H,16,17)(H,13,14,19)
InChIKeyMGNLTYKZPVDXAC-UHFFFAOYSA-N
MW282.26 g/mol
LogP-1.44
Rot. Bonds4

About 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 136958965) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID136958965
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1c(N2CCNC(=O)C2CC(=O)O)nc[nH]c1=O
InChIInChI=1S/C11H14N4O5/c1-20-8-9(13-5-14-11(8)19)15-3-2-12-10(18)6(15)4-7(16)17/h5-6H,2-4H2,1H3,(H,12,18)(H,16,17)(H,13,14,19)
InChIKeyMGNLTYKZPVDXAC-UHFFFAOYSA-N
XLogP-1.44
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid (CID 136958965) is 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid is COc1c(N2CCNC(=O)C2CC(=O)O)nc[nH]c1=O.
What is the InChIKey of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is MGNLTYKZPVDXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5/c1-20-8-9(13-5-14-11(8)19)15-3-2-12-10(18)6(15)4-7(16)17/h5-6H,2-4H2,1H3,(H,12,18)(H,16,17)(H,13,14,19).
What are the key properties of 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of -1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 136958965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).