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

C11H13N3O6 — CID 24705400

IUPAC1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O6/c1-20-5-2-7(10(17)18)14(4-5)9(16)6-3-8(15)13-11(19)12-6/h3,5,7H,2,4H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyGUUKXPPKYKFVAM-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.62
Rot. Bonds3

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

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 24705400) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID24705400
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O6/c1-20-5-2-7(10(17)18)14(4-5)9(16)6-3-8(15)13-11(19)12-6/h3,5,7H,2,4H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyGUUKXPPKYKFVAM-UHFFFAOYSA-N
XLogP-1.62
TPSA132.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R,5R)-4-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylic acid
CID 69401032
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)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 155378646
methyl (2S,4R)-1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 155378681
dimethyl (2S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylate
CID 10336545
methyl (2R,4S)-1-[1-(tert-butylamino)-3-(2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylate
CID 10523956
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24705016
(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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 24705400) is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is GUUKXPPKYKFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c1-20-5-2-7(10(17)18)14(4-5)9(16)6-3-8(15)13-11(19)12-6/h3,5,7H,2,4H2,1H3,(H,17,18)(H2,12,13,15,19).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of -1.62, 3 rotatable bonds, 3 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-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24705400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).