2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid

C10H12N2O4 — CID 122155699

IUPAC2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid
SMILESO=C1NC(=O)C2(CC3CC(C(=O)O)C2C3)N1
InChIInChI=1S/C10H12N2O4/c13-7(14)5-1-4-2-6(5)10(3-4)8(15)11-9(16)12-10/h4-6H,1-3H2,(H,13,14)(H2,11,12,15,16)
InChIKeyOJDGDTWOPAKPSU-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.30
Rot. Bonds1

About 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid

2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid (PubChem CID 122155699) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid.

Molecular Properties

Compound Name2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid
PubChem CID122155699
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid
SMILESO=C1NC(=O)C2(CC3CC(C(=O)O)C2C3)N1
InChIInChI=1S/C10H12N2O4/c13-7(14)5-1-4-2-6(5)10(3-4)8(15)11-9(16)12-10/h4-6H,1-3H2,(H,13,14)(H2,11,12,15,16)
InChIKeyOJDGDTWOPAKPSU-UHFFFAOYSA-N
XLogP-0.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.30
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 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid?
The IUPAC name of 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid (CID 122155699) is 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid.
What is the SMILES notation for 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid?
The canonical SMILES for 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid is O=C1NC(=O)C2(CC3CC(C(=O)O)C2C3)N1.
What is the InChIKey of 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid?
The InChIKey is OJDGDTWOPAKPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7(14)5-1-4-2-6(5)10(3-4)8(15)11-9(16)12-10/h4-6H,1-3H2,(H,13,14)(H2,11,12,15,16).
What are the key properties of 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid?
2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid is sourced from PubChem (CID 122155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).