3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

C9H14FNO4 — CID 25260274

IUPAC3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(F)(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyFJLIZBBURXQODR-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.03
Rot. Bonds1

About 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (PubChem CID 25260274) has the molecular formula C9H14FNO4 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
PubChem CID25260274
Molecular FormulaC9H14FNO4
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(F)(C(=O)O)C1
InChIInChI=1S/C9H14FNO4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKeyFJLIZBBURXQODR-UHFFFAOYSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid (CID 25260274) is 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
The InChIKey is FJLIZBBURXQODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid?
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid has a molecular weight of 219.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 25260274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).