4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid

C13H18N2O4 — CID 119026255

IUPAC4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid
SMILESCC1(C)C2(C(=O)O)CCC1(C)C1(C2)NC(=O)NC1=O
InChIInChI=1S/C13H18N2O4/c1-10(2)11(3)4-5-12(10,8(17)18)6-13(11)7(16)14-9(19)15-13/h4-6H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyOMKIQNJTHDQPRQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.87
Rot. Bonds1

About 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid

4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid (PubChem CID 119026255) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid.

Molecular Properties

Compound Name4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid
PubChem CID119026255
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid
SMILESCC1(C)C2(C(=O)O)CCC1(C)C1(C2)NC(=O)NC1=O
InChIInChI=1S/C13H18N2O4/c1-10(2)11(3)4-5-12(10,8(17)18)6-13(11)7(16)14-9(19)15-13/h4-6H2,1-3H3,(H,17,18)(H2,14,15,16,19)
InChIKeyOMKIQNJTHDQPRQ-UHFFFAOYSA-N
XLogP0.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid?
The IUPAC name of 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid (CID 119026255) is 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid.
What is the SMILES notation for 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid?
The canonical SMILES for 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid is CC1(C)C2(C(=O)O)CCC1(C)C1(C2)NC(=O)NC1=O.
What is the InChIKey of 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid?
The InChIKey is OMKIQNJTHDQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(2)11(3)4-5-12(10,8(17)18)6-13(11)7(16)14-9(19)15-13/h4-6H2,1-3H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid?
4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid is sourced from PubChem (CID 119026255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).