4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

C11H15N3O3 — CID 136972428

IUPAC4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC1CCN(c2cc(=O)[nH]cn2)C(C(=O)O)C1
InChIInChI=1S/C11H15N3O3/c1-7-2-3-14(8(4-7)11(16)17)9-5-10(15)13-6-12-9/h5-8H,2-4H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyGHIDNEFMRCGIGO-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.46
Rot. Bonds2

About 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 136972428) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID136972428
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCC1CCN(c2cc(=O)[nH]cn2)C(C(=O)O)C1
InChIInChI=1S/C11H15N3O3/c1-7-2-3-14(8(4-7)11(16)17)9-5-10(15)13-6-12-9/h5-8H,2-4H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyGHIDNEFMRCGIGO-UHFFFAOYSA-N
XLogP0.46
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 136972428) is 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is CC1CCN(c2cc(=O)[nH]cn2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is GHIDNEFMRCGIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-2-3-14(8(4-7)11(16)17)9-5-10(15)13-6-12-9/h5-8H,2-4H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136972428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).