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

C11H13N3O6 — CID 64888406

IUPAC3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H13N3O6/c15-7-1-3-14(10(19)12-7)5-8(16)13-11(9(17)18)2-4-20-6-11/h1,3H,2,4-6H2,(H,13,16)(H,17,18)(H,12,15,19)
InChIKeyMICAAMPTHMHHQP-UHFFFAOYSA-N
MW283.24 g/mol
LogP-2.10
Rot. Bonds4

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

3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64888406) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64888406
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H13N3O6/c15-7-1-3-14(10(19)12-7)5-8(16)13-11(9(17)18)2-4-20-6-11/h1,3H,2,4-6H2,(H,13,16)(H,17,18)(H,12,15,19)
InChIKeyMICAAMPTHMHHQP-UHFFFAOYSA-N
XLogP-2.10
TPSA130.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (CID 64888406) is 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is MICAAMPTHMHHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c15-7-1-3-14(10(19)12-7)5-8(16)13-11(9(17)18)2-4-20-6-11/h1,3H,2,4-6H2,(H,13,16)(H,17,18)(H,12,15,19).
What are the key properties of 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of -2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).