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

C₁₁H₁₀N₂O₄ — CID 167003127

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 Name: 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
• PubChem CID: 167003127
• Molecular Formula: C₁₁H₁₀N₂O₄
• Molecular Weight: 234.21 g/mol
• Exact Mass: 234.06
• IUPAC Name: 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
• SMILES: O=C(O)c1cnc2c(c1)NC(=O)C1(CCC1)O2
• InChI: 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)
• InChIKey: VTYQUWPFYYSCOB-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 88.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.21
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

Sources

• PubChem CID 167003127 — identifiers, structure, computed properties (public domain)

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