2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one

C12H14FN3O2 — CID 137413962

IUPAC2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one
SMILESNC1(c2cccc(F)c2)CC2(C1)NC(O)NC2=O
InChIInChI=1S/C12H14FN3O2/c13-8-3-1-2-7(4-8)11(14)5-12(6-11)9(17)15-10(18)16-12/h1-4,10,16,18H,5-6,14H2,(H,15,17)
InChIKeyFQTUUKOEAFAGGC-UHFFFAOYSA-N
MW251.26 g/mol
LogP-0.49
Rot. Bonds1

About 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one

2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one (PubChem CID 137413962) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one.

Molecular Properties

Compound Name2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one
PubChem CID137413962
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one
SMILESNC1(c2cccc(F)c2)CC2(C1)NC(O)NC2=O
InChIInChI=1S/C12H14FN3O2/c13-8-3-1-2-7(4-8)11(14)5-12(6-11)9(17)15-10(18)16-12/h1-4,10,16,18H,5-6,14H2,(H,15,17)
InChIKeyFQTUUKOEAFAGGC-UHFFFAOYSA-N
XLogP-0.49
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 137413981
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
1-(3-fluorophenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016881
3-amino-3-(3-fluorophenyl)-1-formamido-N-methylcyclobutane-1-carboxamide
CID 142514923
1-[3-(3-fluorophenyl)-1-bicyclo[1.1.0]butanyl]-2-(5-oxopyrrolidin-2-yl)ethane-1,2-dione
CID 176907655
2-(3-fluorophenyl)-2-methylcyclobutan-1-ol
CID 130118878
3-[(1R)-2,2-bis(3-fluorophenyl)-1-methylcyclopropyl]prop-2-enoic acid
CID 54334338
(E)-3-[(1S)-2,2-bis(3-fluorophenyl)-1-methylcyclopropyl]prop-2-enoic acid
CID 14347563
5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one
CID 84786708
2-(3-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 165361700
[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol
CID 105458990
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one?
The IUPAC name of 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one (CID 137413962) is 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one.
What is the SMILES notation for 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one?
The canonical SMILES for 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one is NC1(c2cccc(F)c2)CC2(C1)NC(O)NC2=O.
What is the InChIKey of 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one?
The InChIKey is FQTUUKOEAFAGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-8-3-1-2-7(4-8)11(14)5-12(6-11)9(17)15-10(18)16-12/h1-4,10,16,18H,5-6,14H2,(H,15,17).
What are the key properties of 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one?
2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one has a molecular weight of 251.26 g/mol, XLogP of -0.49, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one is sourced from PubChem (CID 137413962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).