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

C12H14N2O3 — CID 50999035

IUPACbenzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@H](C(=O)OCc2ccccc2)NC1=O
InChIInChI=1S/C12H14N2O3/c1-14-7-10(13-12(14)16)11(15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeySXTMXSXWPZPIFG-SNVBAGLBSA-N
MW234.25 g/mol
LogP0.75
Rot. Bonds3

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

benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 50999035) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID50999035
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namebenzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@H](C(=O)OCc2ccccc2)NC1=O
InChIInChI=1S/C12H14N2O3/c1-14-7-10(13-12(14)16)11(15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeySXTMXSXWPZPIFG-SNVBAGLBSA-N
XLogP0.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-4-methyl-5-oxopyrrolidine-2-carboxylate
CID 176974186
benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
benzyl (4S)-2-oxo-1,3-oxazinane-4-carboxylate
CID 59668959
benzyl (2R,6S)-6-methylpiperidine-2-carboxylate
CID 788180
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
benzyl 1,4,5,6-tetrahydropyrimidine-6-carboxylate
CID 146186977
methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
CID 10492694
benzyl 4-hydroxy-1-methylpyrrolidine-2-carboxylate;benzyl 4-hydroxypyrrolidine-2-carboxylate;methane
CID 158466809
benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate
CID 175064771
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl (1S)-2-oxocyclobutane-1-carboxylate
CID 66868456

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate (CID 50999035) is benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate is CN1C[C@H](C(=O)OCc2ccccc2)NC1=O.
What is the InChIKey of benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is SXTMXSXWPZPIFG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-7-10(13-12(14)16)11(15)17-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)/t10-/m1/s1.
What are the key properties of benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate?
benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 50999035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).