methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate

C12H22N2O3 — CID 83256808

IUPACmethyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)C(C)NC1CC(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)7-10-13-9(3)12(16)14(10)6-5-11(15)17-4/h8-10,13H,5-7H2,1-4H3
InChIKeyYCMJGJRJSSMHKI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds5

About methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate

methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate (PubChem CID 83256808) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate
PubChem CID83256808
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)C(C)NC1CC(C)C
InChIInChI=1S/C12H22N2O3/c1-8(2)7-10-13-9(3)12(16)14(10)6-5-11(15)17-4/h8-10,13H,5-7H2,1-4H3
InChIKeyYCMJGJRJSSMHKI-UHFFFAOYSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83239439
3-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83236846
3-hexyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83265031
5-methyl-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767663
5-methyl-2-(2-methylpropyl)-3-(3-methylsulfinylpropyl)imidazolidin-4-one
CID 113488487
3-(2,2-dicyclopropylethyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83258681
3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83246924
5-methyl-2-(2-methylpropyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83251471
methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
CID 83256480
5-methyl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767695
5-ethyl-2-(2-methylpropyl)-3-octylimidazolidin-4-one
CID 83260459
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate (CID 83256808) is methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate is COC(=O)CCN1C(=O)C(C)NC1CC(C)C.
What is the InChIKey of methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate?
The InChIKey is YCMJGJRJSSMHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)7-10-13-9(3)12(16)14(10)6-5-11(15)17-4/h8-10,13H,5-7H2,1-4H3.
What are the key properties of methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate?
methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-methyl-2-(2-methylpropyl)-5-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 83256808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).