2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid

C13H17N3O5 — CID 62690762

IUPAC2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C13H17N3O5/c17-10-5-9(14-13(21)15-10)6-11(18)16-3-1-2-8(7-16)4-12(19)20/h5,8H,1-4,6-7H2,(H,19,20)(H2,14,15,17,21)
InChIKeyKPKQGGVGGJDSFY-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.68
Rot. Bonds4

About 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid

2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid (PubChem CID 62690762) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid
PubChem CID62690762
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C13H17N3O5/c17-10-5-9(14-13(21)15-10)6-11(18)16-3-1-2-8(7-16)4-12(19)20/h5,8H,1-4,6-7H2,(H,19,20)(H2,14,15,17,21)
InChIKeyKPKQGGVGGJDSFY-UHFFFAOYSA-N
XLogP-0.68
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid (CID 62690762) is 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid?
The InChIKey is KPKQGGVGGJDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-5-9(14-13(21)15-10)6-11(18)16-3-1-2-8(7-16)4-12(19)20/h5,8H,1-4,6-7H2,(H,19,20)(H2,14,15,17,21).
What are the key properties of 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid?
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).