1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid

C11H15N3O4 — CID 56770227

IUPAC1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESCn1c(=O)cc(N2CCC(C(=O)O)CC2)[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-13-9(15)6-8(12-11(13)18)14-4-2-7(3-5-14)10(16)17/h6-7H,2-5H2,1H3,(H,12,18)(H,16,17)
InChIKeyTYRYUMJSGNJYII-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.63
Rot. Bonds2

About 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid

1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid (PubChem CID 56770227) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
PubChem CID56770227
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
SMILESCn1c(=O)cc(N2CCC(C(=O)O)CC2)[nH]c1=O
InChIInChI=1S/C11H15N3O4/c1-13-9(15)6-8(12-11(13)18)14-4-2-7(3-5-14)10(16)17/h6-7H,2-5H2,1H3,(H,12,18)(H,16,17)
InChIKeyTYRYUMJSGNJYII-UHFFFAOYSA-N
XLogP-0.63
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid (CID 56770227) is 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid is Cn1c(=O)cc(N2CCC(C(=O)O)CC2)[nH]c1=O.
What is the InChIKey of 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
The InChIKey is TYRYUMJSGNJYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13-9(15)6-8(12-11(13)18)14-4-2-7(3-5-14)10(16)17/h6-7H,2-5H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid?
1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56770227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).