1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C11H13N3O5 — CID 43170944

IUPAC1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c15-8-3-5-13(11(19)12-8)6-9(16)14-4-1-2-7(14)10(17)18/h3,5,7H,1-2,4,6H2,(H,17,18)(H,12,15,19)
InChIKeyKMULMYKRPIGUBV-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.39
Rot. Bonds3

About 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43170944) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43170944
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c15-8-3-5-13(11(19)12-8)6-9(16)14-4-1-2-7(14)10(17)18/h3,5,7H,1-2,4,6H2,(H,17,18)(H,12,15,19)
InChIKeyKMULMYKRPIGUBV-UHFFFAOYSA-N
XLogP-1.39
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 43170944) is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KMULMYKRPIGUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-3-5-13(11(19)12-8)6-9(16)14-4-1-2-7(14)10(17)18/h3,5,7H,1-2,4,6H2,(H,17,18)(H,12,15,19).
What are the key properties of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43170944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).