methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate

C12H15FN2O4 — CID 59977592

IUPACmethyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate
SMILESCOC(=O)C1(F)C2C1[C@]1(CC2(C)C)NC(=O)NC1=O
InChIInChI=1S/C12H15FN2O4/c1-10(2)4-11(7(16)14-9(18)15-11)6-5(10)12(6,13)8(17)19-3/h5-6H,4H2,1-3H3,(H2,14,15,16,18)/t5?,6?,11-,12?/m0/s1
InChIKeyJXHYPWRAIIPJRJ-HJQJYLAVSA-N
MW270.26 g/mol
LogP0.12
Rot. Bonds1

About methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate

methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate (PubChem CID 59977592) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate
PubChem CID59977592
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Namemethyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate
SMILESCOC(=O)C1(F)C2C1[C@]1(CC2(C)C)NC(=O)NC1=O
InChIInChI=1S/C12H15FN2O4/c1-10(2)4-11(7(16)14-9(18)15-11)6-5(10)12(6,13)8(17)19-3/h5-6H,4H2,1-3H3,(H2,14,15,16,18)/t5?,6?,11-,12?/m0/s1
InChIKeyJXHYPWRAIIPJRJ-HJQJYLAVSA-N
XLogP0.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate?
The IUPAC name of methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate (CID 59977592) is methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate.
What is the SMILES notation for methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate?
The canonical SMILES for methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate is COC(=O)C1(F)C2C1[C@]1(CC2(C)C)NC(=O)NC1=O.
What is the InChIKey of methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate?
The InChIKey is JXHYPWRAIIPJRJ-HJQJYLAVSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-10(2)4-11(7(16)14-9(18)15-11)6-5(10)12(6,13)8(17)19-3/h5-6H,4H2,1-3H3,(H2,14,15,16,18)/t5?,6?,11-,12?/m0/s1.
What are the key properties of methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate?
methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate has a molecular weight of 270.26 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate is sourced from PubChem (CID 59977592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).