1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid

C10H11N3O5 — CID 24695462

IUPAC1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O5/c14-7-4-5(11-10(18)12-7)8(15)13-3-1-2-6(13)9(16)17/h4,6H,1-3H2,(H,16,17)(H2,11,12,14,18)
InChIKeyWUCHDESVCNQBPL-UHFFFAOYSA-N
MW253.21 g/mol
LogP-1.25
Rot. Bonds2

About 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 24695462) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID24695462
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O5/c14-7-4-5(11-10(18)12-7)8(15)13-3-1-2-6(13)9(16)17/h4,6H,1-3H2,(H,16,17)(H2,11,12,14,18)
InChIKeyWUCHDESVCNQBPL-UHFFFAOYSA-N
XLogP-1.25
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid (CID 24695462) is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WUCHDESVCNQBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-7-4-5(11-10(18)12-7)8(15)13-3-1-2-6(13)9(16)17/h4,6H,1-3H2,(H,16,17)(H2,11,12,14,18).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.21 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24695462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).