methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate

C12H12N2O4 — CID 24761794

IUPACmethyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C12H12N2O4/c1-18-11(16)9-7-14(12(17)13-9)10(15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)/t9-/m1/s1
InChIKeyCFMJVOSEWRJGEP-SECBINFHSA-N
MW248.24 g/mol
LogP0.39
Rot. Bonds2

About methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate

methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 24761794) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate
PubChem CID24761794
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Namemethyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C12H12N2O4/c1-18-11(16)9-7-14(12(17)13-9)10(15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)/t9-/m1/s1
InChIKeyCFMJVOSEWRJGEP-SECBINFHSA-N
XLogP0.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate (CID 24761794) is methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate is COC(=O)[C@H]1CN(C(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is CFMJVOSEWRJGEP-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-11(16)9-7-14(12(17)13-9)10(15)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,17)/t9-/m1/s1.
What are the key properties of methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate?
methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-1-benzoyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 24761794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).