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

C12H14N2O5 — CID 69194182

IUPAC3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)C1(CCC(O)C1)OCC2
InChIInChI=1S/C12H14N2O5/c15-7-1-2-12(6-7)11-13-8(10(17)18)5-9(16)14(11)3-4-19-12/h5,7,15H,1-4,6H2,(H,17,18)
InChIKeyDWOMFEHPSQIXGF-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.29
Rot. Bonds1

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

3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid (PubChem CID 69194182) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid.

Molecular Properties

Compound Name3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid
PubChem CID69194182
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid
SMILESO=C(O)c1cc(=O)n2c(n1)C1(CCC(O)C1)OCC2
InChIInChI=1S/C12H14N2O5/c15-7-1-2-12(6-7)11-13-8(10(17)18)5-9(16)14(11)3-4-19-12/h5,7,15H,1-4,6H2,(H,17,18)
InChIKeyDWOMFEHPSQIXGF-UHFFFAOYSA-N
XLogP-0.29
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.29
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'-cyclopentane]-2-carboxylic acid?
The IUPAC name of 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid (CID 69194182) is 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid.
What is the SMILES notation for 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid?
The canonical SMILES for 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid is O=C(O)c1cc(=O)n2c(n1)C1(CCC(O)C1)OCC2.
What is the InChIKey of 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid?
The InChIKey is DWOMFEHPSQIXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-7-1-2-12(6-7)11-13-8(10(17)18)5-9(16)14(11)3-4-19-12/h5,7,15H,1-4,6H2,(H,17,18).
What are the key properties of 3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid?
3'-hydroxy-4-oxospiro[6,7-dihydropyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of -0.29, 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'-cyclopentane]-2-carboxylic acid is sourced from PubChem (CID 69194182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).