2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid

C11H10N2O4 — CID 167003127

IUPAC2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)NC(=O)C1(CCC1)O2
InChIInChI=1S/C11H10N2O4/c14-9(15)6-4-7-8(12-5-6)17-11(2-1-3-11)10(16)13-7/h4-5H,1-3H2,(H,13,16)(H,14,15)
InChIKeyVTYQUWPFYYSCOB-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.03
Rot. Bonds1

About 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid

2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid (PubChem CID 167003127) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid.

Molecular Properties

Compound Name2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
PubChem CID167003127
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)NC(=O)C1(CCC1)O2
InChIInChI=1S/C11H10N2O4/c14-9(15)6-4-7-8(12-5-6)17-11(2-1-3-11)10(16)13-7/h4-5H,1-3H2,(H,13,16)(H,14,15)
InChIKeyVTYQUWPFYYSCOB-UHFFFAOYSA-N
XLogP1.03
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid?
The IUPAC name of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid (CID 167003127) is 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid.
What is the SMILES notation for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid?
The canonical SMILES for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid is O=C(O)c1cnc2c(c1)NC(=O)C1(CCC1)O2.
What is the InChIKey of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid?
The InChIKey is VTYQUWPFYYSCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-9(15)6-4-7-8(12-5-6)17-11(2-1-3-11)10(16)13-7/h4-5H,1-3H2,(H,13,16)(H,14,15).
What are the key properties of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid?
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid is sourced from PubChem (CID 167003127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).