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

C10H8N2O4 — CID 167003420

IUPAC2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)NC(=O)C1(CC1)O2
InChIInChI=1S/C10H8N2O4/c13-8(14)5-3-6-7(11-4-5)16-10(1-2-10)9(15)12-6/h3-4H,1-2H2,(H,12,15)(H,13,14)
InChIKeyUNXMWCDMLAWIDI-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.64
Rot. Bonds1

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

2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid (PubChem CID 167003420) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid.

Molecular Properties

Compound Name2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid
PubChem CID167003420
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)NC(=O)C1(CC1)O2
InChIInChI=1S/C10H8N2O4/c13-8(14)5-3-6-7(11-4-5)16-10(1-2-10)9(15)12-6/h3-4H,1-2H2,(H,12,15)(H,13,14)
InChIKeyUNXMWCDMLAWIDI-UHFFFAOYSA-N
XLogP0.64
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.64
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'-cyclopropane]-7-carboxylic acid?
The IUPAC name of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid (CID 167003420) is 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid.
What is the SMILES notation for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid?
The canonical SMILES for 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid is O=C(O)c1cnc2c(c1)NC(=O)C1(CC1)O2.
What is the InChIKey of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid?
The InChIKey is UNXMWCDMLAWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-8(14)5-3-6-7(11-4-5)16-10(1-2-10)9(15)12-6/h3-4H,1-2H2,(H,12,15)(H,13,14).
What are the key properties of 2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid?
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclopropane]-7-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.64, 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'-cyclopropane]-7-carboxylic acid is sourced from PubChem (CID 167003420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).