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

C11H13N3O6 — CID 43171373

IUPAC1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O6/c15-6-3-7(10(18)19)14(4-6)9(17)5-13-2-1-8(16)12-11(13)20/h1-2,6-7,15H,3-5H2,(H,18,19)(H,12,16,20)
InChIKeyVOOIUVQCGMLJOZ-UHFFFAOYSA-N
MW283.24 g/mol
LogP-2.42
Rot. Bonds3

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

1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43171373) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43171373
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O6/c15-6-3-7(10(18)19)14(4-6)9(17)5-13-2-1-8(16)12-11(13)20/h1-2,6-7,15H,3-5H2,(H,18,19)(H,12,16,20)
InChIKeyVOOIUVQCGMLJOZ-UHFFFAOYSA-N
XLogP-2.42
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 66261826
methyl (2S,4R)-4-hydroxy-1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 67676061
(2R,3R,5S)-2-(2,4-dioxo-1H-pyrimidin-3-yl)-3-hydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 69400322
(2S,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylic acid
CID 69400513
1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid
CID 142648152
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
1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
CID 158415115
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 43171373) is 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VOOIUVQCGMLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c15-6-3-7(10(18)19)14(4-6)9(17)5-13-2-1-8(16)12-11(13)20/h1-2,6-7,15H,3-5H2,(H,18,19)(H,12,16,20).
What are the key properties of 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of -2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43171373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).