spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid

C9H10N2O4 — CID 167719402

IUPACspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid
SMILESO=C(O)c1cnn2c1OCC1(COC1)C2
InChIInChI=1S/C9H10N2O4/c12-8(13)6-1-10-11-2-9(3-14-4-9)5-15-7(6)11/h1H,2-5H2,(H,12,13)
InChIKeyPAPOGFSIKJOEEH-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.01
Rot. Bonds1

About spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid

spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid (PubChem CID 167719402) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid.

Molecular Properties

Compound Namespiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid
PubChem CID167719402
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namespiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid
SMILESO=C(O)c1cnn2c1OCC1(COC1)C2
InChIInChI=1S/C9H10N2O4/c12-8(13)6-1-10-11-2-9(3-14-4-9)5-15-7(6)11/h1H,2-5H2,(H,12,13)
InChIKeyPAPOGFSIKJOEEH-UHFFFAOYSA-N
XLogP-0.01
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid?
The IUPAC name of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid (CID 167719402) is spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid.
What is the SMILES notation for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid?
The canonical SMILES for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid is O=C(O)c1cnn2c1OCC1(COC1)C2.
What is the InChIKey of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid?
The InChIKey is PAPOGFSIKJOEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(13)6-1-10-11-2-9(3-14-4-9)5-15-7(6)11/h1H,2-5H2,(H,12,13).
What are the key properties of spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid?
spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-oxetane]-3-carboxylic acid is sourced from PubChem (CID 167719402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).