(1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid

C10H12N2O4 — CID 99990928

IUPAC(1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid
SMILESO=C1NC(=O)[C@]2(C[C@H]3CC[C@]2(C(=O)O)C3)N1
InChIInChI=1S/C10H12N2O4/c13-6-10(12-8(16)11-6)4-5-1-2-9(10,3-5)7(14)15/h5H,1-4H2,(H,14,15)(H2,11,12,13,16)/t5-,9+,10-/m0/s1
InChIKeyULHHDTOFIUPFIL-DWFIKQFRSA-N
MW224.22 g/mol
LogP-0.16
Rot. Bonds1

About (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid

(1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid (PubChem CID 99990928) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid
PubChem CID99990928
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid
SMILESO=C1NC(=O)[C@]2(C[C@H]3CC[C@]2(C(=O)O)C3)N1
InChIInChI=1S/C10H12N2O4/c13-6-10(12-8(16)11-6)4-5-1-2-9(10,3-5)7(14)15/h5H,1-4H2,(H,14,15)(H2,11,12,13,16)/t5-,9+,10-/m0/s1
InChIKeyULHHDTOFIUPFIL-DWFIKQFRSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7,7-trimethyl-2',5'-dioxospiro[bicyclo[2.2.1]heptane-3,4'-imidazolidine]-1-carboxylic acid
CID 119026255
2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylate
CID 78445633
2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid
CID 122155699
(1R,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 129413549
2-fluoro-6,8-dioxo-5,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 155895138
(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl) hydrogen carbonate
CID 68899582
(5S)-6,6-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 134828274
(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-2,5'-imidazolidine]-2',4'-dione
CID 129387528
2,2-dimethyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 138033204
methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate
CID 99995843
(4R)-2-azabicyclo[2.2.1]heptane-1-carboxylic acid
CID 138645603
4,5,5-triacetyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid
CID 142654327

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid?
The IUPAC name of (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid (CID 99990928) is (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid.
What is the SMILES notation for (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid?
The canonical SMILES for (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid is O=C1NC(=O)[C@]2(C[C@H]3CC[C@]2(C(=O)O)C3)N1.
What is the InChIKey of (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid?
The InChIKey is ULHHDTOFIUPFIL-DWFIKQFRSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-6-10(12-8(16)11-6)4-5-1-2-9(10,3-5)7(14)15/h5H,1-4H2,(H,14,15)(H2,11,12,13,16)/t5-,9+,10-/m0/s1.
What are the key properties of (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid?
(1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2',5'-dioxospiro[bicyclo[2.2.1]heptane-2,4'-imidazolidine]-1-carboxylic acid is sourced from PubChem (CID 99990928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).