3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

C12H15N3O6 — CID 64888045

IUPAC3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2(C(=O)O)CCOC2)c1=O
InChIInChI=1S/C12H15N3O6/c1-14-9(17)2-4-15(11(14)20)6-8(16)13-12(10(18)19)3-5-21-7-12/h2,4H,3,5-7H2,1H3,(H,13,16)(H,18,19)
InChIKeyPOKKOSOYMVVXIM-UHFFFAOYSA-N
MW297.27 g/mol
LogP-2.09
Rot. Bonds4

About 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64888045) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64888045
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCn1c(=O)ccn(CC(=O)NC2(C(=O)O)CCOC2)c1=O
InChIInChI=1S/C12H15N3O6/c1-14-9(17)2-4-15(11(14)20)6-8(16)13-12(10(18)19)3-5-21-7-12/h2,4H,3,5-7H2,1H3,(H,13,16)(H,18,19)
InChIKeyPOKKOSOYMVVXIM-UHFFFAOYSA-N
XLogP-2.09
TPSA119.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (CID 64888045) is 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is Cn1c(=O)ccn(CC(=O)NC2(C(=O)O)CCOC2)c1=O.
What is the InChIKey of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is POKKOSOYMVVXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-14-9(17)2-4-15(11(14)20)6-8(16)13-12(10(18)19)3-5-21-7-12/h2,4H,3,5-7H2,1H3,(H,13,16)(H,18,19).
What are the key properties of 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).