1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid

C13H17N3O5 — CID 43355536

About 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid

1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 43355536) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
• PubChem CID: 43355536
• Molecular Formula: C13H17N3O5
• Molecular Weight: 295.30 g/mol
• Exact Mass: 295.12
• IUPAC Name: 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
• SMILES: Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCCC1C(=O)O
• InChI: InChI=1S/C13H17N3O5/c1-7-8(11(18)15-13(21)14-7)4-5-10(17)16-6-2-3-9(16)12(19)20/h9H,2-6H2,1H3,(H,19,20)(H2,14,15,18,21)
• InChIKey: VMJDTAQIOJBCRB-UHFFFAOYSA-N
• XLogP: -0.62
• TPSA: 123.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.30
LogP ≤ 5	-0.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid?

The IUPAC name of 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 43355536) is 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid.

What is the SMILES notation for 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid?

The canonical SMILES for 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCCC1C(=O)O.

What is the InChIKey of 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid?

The InChIKey is VMJDTAQIOJBCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-7-8(11(18)15-13(21)14-7)4-5-10(17)16-6-2-3-9(16)12(19)20/h9H,2-6H2,1H3,(H,19,20)(H2,14,15,18,21).

What are the key properties of 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid?

1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).