4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

C11H13N3O6 — CID 66254705

IUPAC4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O6/c1-11(9(17)18)4-20-3-6(11)13-8(16)5-2-7(15)14-10(19)12-5/h2,6H,3-4H2,1H3,(H,13,16)(H,17,18)(H2,12,14,15,19)
InChIKeyOHWQQBZPBXEQOO-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.72
Rot. Bonds3

About 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid

4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66254705) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66254705
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O6/c1-11(9(17)18)4-20-3-6(11)13-8(16)5-2-7(15)14-10(19)12-5/h2,6H,3-4H2,1H3,(H,13,16)(H,17,18)(H2,12,14,15,19)
InChIKeyOHWQQBZPBXEQOO-UHFFFAOYSA-N
XLogP-1.72
TPSA141.35 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 ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66254705) is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is OHWQQBZPBXEQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c1-11(9(17)18)4-20-3-6(11)13-8(16)5-2-7(15)14-10(19)12-5/h2,6H,3-4H2,1H3,(H,13,16)(H,17,18)(H2,12,14,15,19).
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of -1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66254705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).