3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid

C11H10N2O5 — CID 116990440

IUPAC3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid
SMILESO=C1Nc2ncccc2OC1C1(C(=O)O)COC1
InChIInChI=1S/C11H10N2O5/c14-9-7(11(10(15)16)4-17-5-11)18-6-2-1-3-12-8(6)13-9/h1-3,7H,4-5H2,(H,15,16)(H,12,13,14)
InChIKeyDKDSKKGEOOXUQT-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.12
Rot. Bonds2

About 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid

3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid (PubChem CID 116990440) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid
PubChem CID116990440
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid
SMILESO=C1Nc2ncccc2OC1C1(C(=O)O)COC1
InChIInChI=1S/C11H10N2O5/c14-9-7(11(10(15)16)4-17-5-11)18-6-2-1-3-12-8(6)13-9/h1-3,7H,4-5H2,(H,15,16)(H,12,13,14)
InChIKeyDKDSKKGEOOXUQT-UHFFFAOYSA-N
XLogP-0.12
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid (CID 116990440) is 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid is O=C1Nc2ncccc2OC1C1(C(=O)O)COC1.
What is the InChIKey of 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid?
The InChIKey is DKDSKKGEOOXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-9-7(11(10(15)16)4-17-5-11)18-6-2-1-3-12-8(6)13-9/h1-3,7H,4-5H2,(H,15,16)(H,12,13,14).
What are the key properties of 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid?
3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid is sourced from PubChem (CID 116990440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).