(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

C6H9FN2O2 — CID 146346758

IUPAC(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N(O)[C@@H]2CC[C@H](F)N1C2
InChIInChI=1S/C6H9FN2O2/c7-5-2-1-4-3-8(5)6(10)9(4)11/h4-5,11H,1-3H2/t4-,5-/m1/s1
InChIKeyVUDKCDXFXRKNAG-RFZPGFLSSA-N
MW160.15 g/mol
LogP0.57
Rot. Bonds

About (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one

(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 146346758) has the molecular formula C6H9FN2O2 and a molecular weight of 160.15 g/mol. Its IUPAC name is (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID146346758
Molecular FormulaC6H9FN2O2
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N(O)[C@@H]2CC[C@H](F)N1C2
InChIInChI=1S/C6H9FN2O2/c7-5-2-1-4-3-8(5)6(10)9(4)11/h4-5,11H,1-3H2/t4-,5-/m1/s1
InChIKeyVUDKCDXFXRKNAG-RFZPGFLSSA-N
XLogP0.57
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl)acetaldehyde
CID 123677312
(2S)-6-hydroxy-N',N'-dimethyl-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 90228644
(2S,5R)-6-hydroxy-7-oxo-N'-sulfamoyl-1,6-diazabicyclo[3.2.1]octane-2-carboximidamide
CID 167432315
(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 122595100
(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 153017915
(2S)-6-hydroxy-N'-methylsulfonyl-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 90228992
4-cyclopropyl-9-hydroxy-3-oxo-3λ4-thia-1,4,9-triazatricyclo[6.2.1.02,6]undecan-10-one
CID 166804687
(2S,5R)-6-hydroxy-N-(methylsulfonylmethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 158519234
(2S,5R)-N'-[(1S)-2,2-dimethylcyclopropanecarbonyl]-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 86694070
(2R,5S)-N'-butanoyl-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 86694065
tert-butyl N-[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]methyl]carbamate
CID 118016875
(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one
CID 157086211

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one (CID 146346758) is (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N(O)[C@@H]2CC[C@H](F)N1C2.
What is the InChIKey of (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is VUDKCDXFXRKNAG-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9FN2O2/c7-5-2-1-4-3-8(5)6(10)9(4)11/h4-5,11H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one?
(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 160.15 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 146346758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).