3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

C12H10FNO3 — CID 115009751

IUPAC3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1C2CN(c3cccc(F)c3)C(=O)C21
InChIInChI=1S/C12H10FNO3/c13-6-2-1-3-7(4-6)14-5-8-9(11(14)15)10(8)12(16)17/h1-4,8-10H,5H2,(H,16,17)
InChIKeyJKBKRTKEXRAUMM-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.12
Rot. Bonds2

About 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 115009751) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID115009751
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESO=C(O)C1C2CN(c3cccc(F)c3)C(=O)C21
InChIInChI=1S/C12H10FNO3/c13-6-2-1-3-7(4-6)14-5-8-9(11(14)15)10(8)12(16)17/h1-4,8-10H,5H2,(H,16,17)
InChIKeyJKBKRTKEXRAUMM-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009749
3-(2-methylphenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009778
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 77164925
6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009746
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
CID 143768763
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
(1R,2R,6S,7S,8S,10R)-4-(3-fluorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 68542080
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
CID 7255404
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid (CID 115009751) is 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is O=C(O)C1C2CN(c3cccc(F)c3)C(=O)C21.
What is the InChIKey of 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is JKBKRTKEXRAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-6-2-1-3-7(4-6)14-5-8-9(11(14)15)10(8)12(16)17/h1-4,8-10H,5H2,(H,16,17).
What are the key properties of 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid?
3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 115009751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).