2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide

C13H14FN3O3 — CID 137413981

IUPAC2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide
SMILESNC(=O)C1(c2cccc(F)c2)CC2(C1)NC(O)NC2=O
InChIInChI=1S/C13H14FN3O3/c14-8-3-1-2-7(4-8)12(9(15)18)5-13(6-12)10(19)16-11(20)17-13/h1-4,11,17,20H,5-6H2,(H2,15,18)(H,16,19)
InChIKeyFRZLYUZVELHSCJ-UHFFFAOYSA-N
MW279.27 g/mol
LogP-0.92
Rot. Bonds2

About 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide

2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide (PubChem CID 137413981) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide
PubChem CID137413981
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide
SMILESNC(=O)C1(c2cccc(F)c2)CC2(C1)NC(O)NC2=O
InChIInChI=1S/C13H14FN3O3/c14-8-3-1-2-7(4-8)12(9(15)18)5-13(6-12)10(19)16-11(20)17-13/h1-4,11,17,20H,5-6H2,(H2,15,18)(H,16,19)
InChIKeyFRZLYUZVELHSCJ-UHFFFAOYSA-N
XLogP-0.92
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3-fluorophenyl)-6-hydroxy-5,7-diazaspiro[3.4]octan-8-one
CID 137413962
ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide
CID 142514919
1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide
CID 137419677
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 166079994
1-[3-(3-fluorophenyl)-1-bicyclo[1.1.0]butanyl]-2-(5-oxopyrrolidin-2-yl)ethane-1,2-dione
CID 176907655
[1-(3-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561853
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
2-(3-fluorophenyl)-2-methylcyclobutan-1-ol
CID 130118878
N-(4-aminocyclohexyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119474298

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide (CID 137413981) is 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide is NC(=O)C1(c2cccc(F)c2)CC2(C1)NC(O)NC2=O.
What is the InChIKey of 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
The InChIKey is FRZLYUZVELHSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c14-8-3-1-2-7(4-8)12(9(15)18)5-13(6-12)10(19)16-11(20)17-13/h1-4,11,17,20H,5-6H2,(H2,15,18)(H,16,19).
What are the key properties of 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide?
2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide has a molecular weight of 279.27 g/mol, XLogP of -0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 137413981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).