6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid

C8H8N2O5 — CID 57434447

IUPAC6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1noc2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H8N2O5/c11-7(12)6-4-3-10(8(13)14)2-1-5(4)15-9-6/h1-3H2,(H,11,12)(H,13,14)
InChIKeyONZGVAJFYUUVOK-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.41
Rot. Bonds1

About 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid (PubChem CID 57434447) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid
PubChem CID57434447
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid
SMILESO=C(O)c1noc2c1CN(C(=O)O)CC2
InChIInChI=1S/C8H8N2O5/c11-7(12)6-4-3-10(8(13)14)2-1-5(4)15-9-6/h1-3H2,(H,11,12)(H,13,14)
InChIKeyONZGVAJFYUUVOK-UHFFFAOYSA-N
XLogP0.41
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
The IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid (CID 57434447) is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid is O=C(O)c1noc2c1CN(C(=O)O)CC2.
What is the InChIKey of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
The InChIKey is ONZGVAJFYUUVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c11-7(12)6-4-3-10(8(13)14)2-1-5(4)15-9-6/h1-3H2,(H,11,12)(H,13,14).
What are the key properties of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid?
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid has a molecular weight of 212.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 57434447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).