1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C11H13N3O5 — CID 63146603

IUPAC1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O5/c1-11(9(17)18)2-3-14(5-11)8(16)6-4-7(15)13-10(19)12-6/h4H,2-3,5H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyWTPAEGBKVCQBOT-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.00
Rot. Bonds2

About 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146603) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146603
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O5/c1-11(9(17)18)2-3-14(5-11)8(16)6-4-7(15)13-10(19)12-6/h4H,2-3,5H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyWTPAEGBKVCQBOT-UHFFFAOYSA-N
XLogP-1.00
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63146603) is 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WTPAEGBKVCQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-11(9(17)18)2-3-14(5-11)8(16)6-4-7(15)13-10(19)12-6/h4H,2-3,5H2,1H3,(H,17,18)(H2,12,13,15,19).
What are the key properties of 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).