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

C10H11N3O6 — CID 24705016

IUPAC1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O6/c14-4-1-6(9(17)18)13(3-4)8(16)5-2-7(15)12-10(19)11-5/h2,4,6,14H,1,3H2,(H,17,18)(H2,11,12,15,19)
InChIKeyIFUGJLPCAYQBRP-UHFFFAOYSA-N
MW269.21 g/mol
LogP-2.28
Rot. Bonds2

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

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 24705016) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID24705016
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O6/c14-4-1-6(9(17)18)13(3-4)8(16)5-2-7(15)12-10(19)11-5/h2,4,6,14H,1,3H2,(H,17,18)(H2,11,12,15,19)
InChIKeyIFUGJLPCAYQBRP-UHFFFAOYSA-N
XLogP-2.28
TPSA143.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 24695462
methyl (2S,4R)-4-hydroxy-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 67676061
(2S,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylic acid
CID 69400513
methyl (2S,4R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 155378681
methyl (2R,4S)-1-[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylate
CID 10523956
3-[(2S,3S,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2,6-dioxopyrimidine-4-carboxamide
CID 11566094
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24705400
(2S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 28182880
(2R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 28182882
(2S,4R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28205152
(2S,4S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28205154
(2R,4R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28205156

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 24705016) is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is IFUGJLPCAYQBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6/c14-4-1-6(9(17)18)13(3-4)8(16)5-2-7(15)12-10(19)11-5/h2,4,6,14H,1,3H2,(H,17,18)(H2,11,12,15,19).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 269.21 g/mol, XLogP of -2.28, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24705016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).