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

C11H13FN2O4 — CID 59977593

IUPAC(4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid
SMILESCC1(C)C[C@]2(NC(=O)NC2=O)C2C1C2(F)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-9(2)3-10(6(15)13-8(18)14-10)5-4(9)11(5,12)7(16)17/h4-5H,3H2,1-2H3,(H,16,17)(H2,13,14,15,18)/t4?,5?,10-,11?/m0/s1
InChIKeyBUXXSGADZCZBGO-QZJXPAJRSA-N
MW256.23 g/mol
LogP0.03
Rot. Bonds1

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

(4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid (PubChem CID 59977593) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid.

Molecular Properties

Compound Name(4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid
PubChem CID59977593
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name(4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid
SMILESCC1(C)C[C@]2(NC(=O)NC2=O)C2C1C2(F)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-9(2)3-10(6(15)13-8(18)14-10)5-4(9)11(5,12)7(16)17/h4-5H,3H2,1-2H3,(H,16,17)(H2,13,14,15,18)/t4?,5?,10-,11?/m0/s1
InChIKeyBUXXSGADZCZBGO-QZJXPAJRSA-N
XLogP0.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.03
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 (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid?
The IUPAC name of (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid (CID 59977593) is (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid.
What is the SMILES notation for (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid?
The canonical SMILES for (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid is CC1(C)C[C@]2(NC(=O)NC2=O)C2C1C2(F)C(=O)O.
What is the InChIKey of (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid?
The InChIKey is BUXXSGADZCZBGO-QZJXPAJRSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-9(2)3-10(6(15)13-8(18)14-10)5-4(9)11(5,12)7(16)17/h4-5H,3H2,1-2H3,(H,16,17)(H2,13,14,15,18)/t4?,5?,10-,11?/m0/s1.
What are the key properties of (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid?
(4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid is sourced from PubChem (CID 59977593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).