3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid

C11H12N2O5 — CID 69195239

IUPAC3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)C1(CC(O)C1)OCC2
InChIInChI=1S/C11H12N2O5/c14-6-4-11(5-6)10-12-7(9(16)17)3-8(15)13(10)1-2-18-11/h3,6,14H,1-2,4-5H2,(H,16,17)
InChIKeySRNDULGKRLSUFK-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.68
Rot. Bonds1

About 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid

3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid (PubChem CID 69195239) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid.

Molecular Properties

Compound Name3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid
PubChem CID69195239
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)C1(CC(O)C1)OCC2
InChIInChI=1S/C11H12N2O5/c14-6-4-11(5-6)10-12-7(9(16)17)3-8(15)13(10)1-2-18-11/h3,6,14H,1-2,4-5H2,(H,16,17)
InChIKeySRNDULGKRLSUFK-UHFFFAOYSA-N
XLogP-0.68
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid?
The IUPAC name of 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid (CID 69195239) is 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid.
What is the SMILES notation for 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid?
The canonical SMILES for 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid is O=C(O)c1cc(=O)n2c(n1)C1(CC(O)C1)OCC2.
What is the InChIKey of 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid?
The InChIKey is SRNDULGKRLSUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-6-4-11(5-6)10-12-7(9(16)17)3-8(15)13(10)1-2-18-11/h3,6,14H,1-2,4-5H2,(H,16,17).
What are the key properties of 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid?
3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclobutane]-2-carboxylic acid is sourced from PubChem (CID 69195239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).