(1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid

C9H9FN2O4 — CID 10513520

IUPAC(1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
SMILESO=C1NC(=O)[C@@]2(CC[C@@H]3[C@H]2[C@@]3(F)C(=O)O)N1
InChIInChI=1S/C9H9FN2O4/c10-9(6(14)15)3-1-2-8(4(3)9)5(13)11-7(16)12-8/h3-4H,1-2H2,(H,14,15)(H2,11,12,13,16)/t3-,4-,8+,9-/m1/s1
InChIKeyACEKNONSPCIPHX-UASXIXFLSA-N
MW228.18 g/mol
LogP-0.60
Rot. Bonds1

About (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid

(1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid (PubChem CID 10513520) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
PubChem CID10513520
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name(1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid
SMILESO=C1NC(=O)[C@@]2(CC[C@@H]3[C@H]2[C@@]3(F)C(=O)O)N1
InChIInChI=1S/C9H9FN2O4/c10-9(6(14)15)3-1-2-8(4(3)9)5(13)11-7(16)12-8/h3-4H,1-2H2,(H,14,15)(H2,11,12,13,16)/t3-,4-,8+,9-/m1/s1
InChIKeyACEKNONSPCIPHX-UASXIXFLSA-N
XLogP-0.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The IUPAC name of (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid (CID 10513520) is (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid.
What is the SMILES notation for (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The canonical SMILES for (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid is O=C1NC(=O)[C@@]2(CC[C@@H]3[C@H]2[C@@]3(F)C(=O)O)N1.
What is the InChIKey of (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
The InChIKey is ACEKNONSPCIPHX-UASXIXFLSA-N. The full InChI is InChI=1S/C9H9FN2O4/c10-9(6(14)15)3-1-2-8(4(3)9)5(13)11-7(16)12-8/h3-4H,1-2H2,(H,14,15)(H2,11,12,13,16)/t3-,4-,8+,9-/m1/s1.
What are the key properties of (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid?
(1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid has a molecular weight of 228.18 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6R)-6-fluoro-2',5'-dioxospiro[bicyclo[3.1.0]hexane-2,4'-imidazolidine]-6-carboxylic acid is sourced from PubChem (CID 10513520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).