7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

C12H18FNO5 — CID 18437300

IUPAC7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(C(=O)O)C2CC(O)C1C2F
InChIInChI=1S/C12H18FNO5/c1-12(2,3)19-11(18)14-8(10(16)17)5-4-6(15)9(14)7(5)13/h5-9,15H,4H2,1-3H3,(H,16,17)
InChIKeyLJXOXNFLZSSFOM-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.78
Rot. Bonds1

About 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid (PubChem CID 18437300) has the molecular formula C12H18FNO5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
PubChem CID18437300
Molecular FormulaC12H18FNO5
Molecular Weight275.28 g/mol
Exact Mass275.12
IUPAC Name7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(C(=O)O)C2CC(O)C1C2F
InChIInChI=1S/C12H18FNO5/c1-12(2,3)19-11(18)14-8(10(16)17)5-4-6(15)9(14)7(5)13/h5-9,15H,4H2,1-3H3,(H,16,17)
InChIKeyLJXOXNFLZSSFOM-UHFFFAOYSA-N
XLogP0.78
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-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 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The IUPAC name of 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid (CID 18437300) is 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The canonical SMILES for 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid is CC(C)(C)OC(=O)N1C(C(=O)O)C2CC(O)C1C2F.
What is the InChIKey of 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
The InChIKey is LJXOXNFLZSSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO5/c1-12(2,3)19-11(18)14-8(10(16)17)5-4-6(15)9(14)7(5)13/h5-9,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid?
7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid is sourced from PubChem (CID 18437300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).