1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid

C10H13N3O4 — CID 99727756

IUPAC1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C10H13N3O4/c14-8-5-7(11-10(17)12-8)13-3-1-6(2-4-13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,14,17)
InChIKeyRWZJUGWZUXKLJP-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.64
Rot. Bonds2

About 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid

1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid (PubChem CID 99727756) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
PubChem CID99727756
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C10H13N3O4/c14-8-5-7(11-10(17)12-8)13-3-1-6(2-4-13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,14,17)
InChIKeyRWZJUGWZUXKLJP-UHFFFAOYSA-N
XLogP-0.64
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid (CID 99727756) is 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(=O)[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The InChIKey is RWZJUGWZUXKLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8-5-7(11-10(17)12-8)13-3-1-6(2-4-13)9(15)16/h5-6H,1-4H2,(H,15,16)(H2,11,12,14,17).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 99727756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).