1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H13N3O6 — CID 43357052

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O6/c15-6-3-7(10(18)19)14(4-6)9(17)2-5-1-8(16)13-11(20)12-5/h1,6-7,15H,2-4H2,(H,18,19)(H2,12,13,16,20)
InChIKeyPTMBKYYITHHICP-UHFFFAOYSA-N
MW283.24 g/mol
LogP-2.35
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 43357052) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID43357052
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O6/c15-6-3-7(10(18)19)14(4-6)9(17)2-5-1-8(16)13-11(20)12-5/h1,6-7,15H,2-4H2,(H,18,19)(H2,12,13,16,20)
InChIKeyPTMBKYYITHHICP-UHFFFAOYSA-N
XLogP-2.35
TPSA143.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24705016
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24705400
(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
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171373
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355714
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356893
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359796
methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate
CID 43410295
(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 55150224
(2S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151671

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 43357052) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is PTMBKYYITHHICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c15-6-3-7(10(18)19)14(4-6)9(17)2-5-1-8(16)13-11(20)12-5/h1,6-7,15H,2-4H2,(H,18,19)(H2,12,13,16,20).
What are the key properties of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of -2.35, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43357052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).