3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid

C12H11FN2O4 — CID 174930741

IUPAC3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2C(=O)COc3cc(F)ccc32)C1
InChIInChI=1S/C12H11FN2O4/c13-7-1-2-9-10(3-7)19-6-11(16)15(9)8-4-14(5-8)12(17)18/h1-3,8H,4-6H2,(H,17,18)
InChIKeyQRMMBGUXTAQMNG-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.91
Rot. Bonds1

About 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid

3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid (PubChem CID 174930741) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid
PubChem CID174930741
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2C(=O)COc3cc(F)ccc32)C1
InChIInChI=1S/C12H11FN2O4/c13-7-1-2-9-10(3-7)19-6-11(16)15(9)8-4-14(5-8)12(17)18/h1-3,8H,4-6H2,(H,17,18)
InChIKeyQRMMBGUXTAQMNG-UHFFFAOYSA-N
XLogP0.91
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid (CID 174930741) is 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid is O=C(O)N1CC(N2C(=O)COc3cc(F)ccc32)C1.
What is the InChIKey of 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid?
The InChIKey is QRMMBGUXTAQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-7-1-2-9-10(3-7)19-6-11(16)15(9)8-4-14(5-8)12(17)18/h1-3,8H,4-6H2,(H,17,18).
What are the key properties of 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid?
3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid has a molecular weight of 266.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3-oxo-1,4-benzoxazin-4-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 174930741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).