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

C12H15N3O6 — CID 43359796

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O6/c1-21-7-4-8(11(18)19)15(5-7)10(17)3-6-2-9(16)14-12(20)13-6/h2,7-8H,3-5H2,1H3,(H,18,19)(H2,13,14,16,20)
InChIKeyRRWJZKRXMCFWCM-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.69
Rot. Bonds4

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

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 43359796) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID43359796
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C12H15N3O6/c1-21-7-4-8(11(18)19)15(5-7)10(17)3-6-2-9(16)14-12(20)13-6/h2,7-8H,3-5H2,1H3,(H,18,19)(H2,13,14,16,20)
InChIKeyRRWJZKRXMCFWCM-UHFFFAOYSA-N
XLogP-1.69
TPSA132.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)pyrrolidine-1,2-dicarboxylic acid
CID 69400513
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-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355714
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357052
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359718
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359739
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 43359796) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is RRWJZKRXMCFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-21-7-4-8(11(18)19)15(5-7)10(17)3-6-2-9(16)14-12(20)13-6/h2,7-8H,3-5H2,1H3,(H,18,19)(H2,13,14,16,20).
What are the key properties of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -1.69, 4 rotatable bonds, 3 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-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43359796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).