(1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C10H14FNO3 — CID 155047197

IUPAC(1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESC[C@@]12CC[C@@](C)([C@H](F)C(=O)C1)N2C(=O)O
InChIInChI=1S/C10H14FNO3/c1-9-3-4-10(2,12(9)8(14)15)7(11)6(13)5-9/h7H,3-5H2,1-2H3,(H,14,15)/t7-,9-,10+/m1/s1
InChIKeyKDOLFHGQHZYQPP-QNSHHTMESA-N
MW215.22 g/mol
LogP1.59
Rot. Bonds

About (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid

(1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 155047197) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID155047197
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name(1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESC[C@@]12CC[C@@](C)([C@H](F)C(=O)C1)N2C(=O)O
InChIInChI=1S/C10H14FNO3/c1-9-3-4-10(2,12(9)8(14)15)7(11)6(13)5-9/h7H,3-5H2,1-2H3,(H,14,15)/t7-,9-,10+/m1/s1
InChIKeyKDOLFHGQHZYQPP-QNSHHTMESA-N
XLogP1.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 155047197) is (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid is C[C@@]12CC[C@@](C)([C@H](F)C(=O)C1)N2C(=O)O.
What is the InChIKey of (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is KDOLFHGQHZYQPP-QNSHHTMESA-N. The full InChI is InChI=1S/C10H14FNO3/c1-9-3-4-10(2,12(9)8(14)15)7(11)6(13)5-9/h7H,3-5H2,1-2H3,(H,14,15)/t7-,9-,10+/m1/s1.
What are the key properties of (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
(1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 215.22 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 155047197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).