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

C12H17N3O3 — CID 136740825

IUPAC1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCc1cc(=O)[nH]c(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-2-8-7-10(16)14-12(13-8)15-6-4-3-5-9(15)11(17)18/h7,9H,2-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyAPMDOUOFDLMOMT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.78
Rot. Bonds3

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

1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid (PubChem CID 136740825) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
PubChem CID136740825
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESCCc1cc(=O)[nH]c(N2CCCCC2C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-2-8-7-10(16)14-12(13-8)15-6-4-3-5-9(15)11(17)18/h7,9H,2-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyAPMDOUOFDLMOMT-UHFFFAOYSA-N
XLogP0.78
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-ylamino)hexanoic acid
CID 135468167
1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 136741440
(2S)-6-amino-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 136443947
6-amino-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 137091802
6-(methylamino)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 137147047
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 43356116
(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 66264674
(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 79034374
2-(4-ethyl-6-oxo-2-piperidin-1-yl-1H-pyrimidin-3-ium-3-yl)acetic acid
CID 110277674
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136219658
1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136740840
1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136740853

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid (CID 136740825) is 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid is CCc1cc(=O)[nH]c(N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is APMDOUOFDLMOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-8-7-10(16)14-12(13-8)15-6-4-3-5-9(15)11(17)18/h7,9H,2-6H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid?
1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136740825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).