3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid

C13H17N3O5 — CID 62217297

IUPAC3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N3O5/c17-10-7-9(14-13(21)15-10)12(20)16-5-3-8(4-6-16)1-2-11(18)19/h7-8H,1-6H2,(H,18,19)(H2,14,15,17,21)
InChIKeyFDJSIUKZFUEIIN-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.22
Rot. Bonds4

About 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62217297) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62217297
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C13H17N3O5/c17-10-7-9(14-13(21)15-10)12(20)16-5-3-8(4-6-16)1-2-11(18)19/h7-8H,1-6H2,(H,18,19)(H2,14,15,17,21)
InChIKeyFDJSIUKZFUEIIN-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid (CID 62217297) is 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is FDJSIUKZFUEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-7-9(14-13(21)15-10)12(20)16-5-3-8(4-6-16)1-2-11(18)19/h7-8H,1-6H2,(H,18,19)(H2,14,15,17,21).
What are the key properties of 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 295.30 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62217297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).