methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate

C11H16N2O4 — CID 99995843

IUPACmethyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@H](C)[C@@]2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H16N2O4/c1-6-4-10(2,8(15)17-3)5-11(6)7(14)12-9(16)13-11/h6H,4-5H2,1-3H3,(H2,12,13,14,16)/t6-,10+,11-/m1/s1
InChIKeyIZCIFAGJCFJVBM-LIEZGIJOSA-N
MW240.26 g/mol
LogP0.17
Rot. Bonds1

About methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate

methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 99995843) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID99995843
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@H](C)[C@@]2(C1)NC(=O)NC2=O
InChIInChI=1S/C11H16N2O4/c1-6-4-10(2,8(15)17-3)5-11(6)7(14)12-9(16)13-11/h6H,4-5H2,1-3H3,(H2,12,13,14,16)/t6-,10+,11-/m1/s1
InChIKeyIZCIFAGJCFJVBM-LIEZGIJOSA-N
XLogP0.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate with MolForge

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Related Compounds

6,8,8-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 81320656
(4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylic acid;methyl (4S)-6-fluoro-2,2-dimethyl-2',5'-dioxospiro[bicyclo[3.1.0]hexane-4,4'-imidazolidine]-6-carboxylate
CID 159910061
2',5'-dioxospiro[bicyclo[2.2.1]heptane-6,4'-imidazolidine]-2-carboxylic acid
CID 122155699
methyl (3aR,6aS)-2-methyl-5-oxo-1,3,3a,4,6,6a-hexahydropentalene-2-carboxylate
CID 11644083
methyl 3-methoxy-1-methylcyclopentane-1-carboxylate
CID 141171024
6-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 114499550
methyl 1,3,3-trimethyl-5-oxocyclohexane-1-carboxylate
CID 13394829
methyl 5-methyl-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylate
CID 130001074
methyl (1R,5S)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylate
CID 124676840
methyl (1S,5R)-4,4-dimethyl-3-oxo-2-azabicyclo[3.2.1]octane-1-carboxylate
CID 129413553
(6S)-6,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 176666943
6-methoxy-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106872094

Frequently Asked Questions

What is the IUPAC name of methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate (CID 99995843) is methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate is COC(=O)[C@@]1(C)C[C@@H](C)[C@@]2(C1)NC(=O)NC2=O.
What is the InChIKey of methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is IZCIFAGJCFJVBM-LIEZGIJOSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-4-10(2,8(15)17-3)5-11(6)7(14)12-9(16)13-11/h6H,4-5H2,1-3H3,(H2,12,13,14,16)/t6-,10+,11-/m1/s1.
What are the key properties of methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate?
methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R,7S,9R)-7,9-dimethyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 99995843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).