3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

C11H13N3O5 — CID 64888794

IUPAC3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H13N3O5/c15-8(6-14-4-1-3-12-10(14)18)13-11(9(16)17)2-5-19-7-11/h1,3-4H,2,5-7H2,(H,13,15)(H,16,17)
InChIKeySSZCKJNJBXRQOV-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.40
Rot. Bonds4

About 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64888794) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID64888794
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cn1cccnc1=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H13N3O5/c15-8(6-14-4-1-3-12-10(14)18)13-11(9(16)17)2-5-19-7-11/h1,3-4H,2,5-7H2,(H,13,15)(H,16,17)
InChIKeySSZCKJNJBXRQOV-UHFFFAOYSA-N
XLogP-1.40
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (CID 64888794) is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is O=C(Cn1cccnc1=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is SSZCKJNJBXRQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8(6-14-4-1-3-12-10(14)18)13-11(9(16)17)2-5-19-7-11/h1,3-4H,2,5-7H2,(H,13,15)(H,16,17).
What are the key properties of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).