1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

C13H17N3O5 — CID 43355860

IUPAC1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)N2CCCC(C(=O)O)C2)c1=O
InChIInChI=1S/C13H17N3O5/c1-14-10(17)4-6-16(13(14)21)8-11(18)15-5-2-3-9(7-15)12(19)20/h4,6,9H,2-3,5,7-8H2,1H3,(H,19,20)
InChIKeyZLYZUCMNUAJHOO-UHFFFAOYSA-N
MW295.30 g/mol
LogP-1.13
Rot. Bonds3

About 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid

1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 43355860) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID43355860
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)N2CCCC(C(=O)O)C2)c1=O
InChIInChI=1S/C13H17N3O5/c1-14-10(17)4-6-16(13(14)21)8-11(18)15-5-2-3-9(7-15)12(19)20/h4,6,9H,2-3,5,7-8H2,1H3,(H,19,20)
InChIKeyZLYZUCMNUAJHOO-UHFFFAOYSA-N
XLogP-1.13
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid (CID 43355860) is 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is Cn1c(=O)ccn(CC(=O)N2CCCC(C(=O)O)C2)c1=O.
What is the InChIKey of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is ZLYZUCMNUAJHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-14-10(17)4-6-16(13(14)21)8-11(18)15-5-2-3-9(7-15)12(19)20/h4,6,9H,2-3,5,7-8H2,1H3,(H,19,20).
What are the key properties of 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid?
1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43355860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).