methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate

C12H20N2O4 — CID 116982587

IUPACmethyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C2CCOCC2)N(C)C1=O
InChIInChI=1S/C12H20N2O4/c1-13-10(9-3-5-18-6-4-9)7-14(12(13)16)8-11(15)17-2/h9-10H,3-8H2,1-2H3
InChIKeyWAIISEYWIXMWIM-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate

methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate (PubChem CID 116982587) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate
PubChem CID116982587
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate
SMILESCOC(=O)CN1CC(C2CCOCC2)N(C)C1=O
InChIInChI=1S/C12H20N2O4/c1-13-10(9-3-5-18-6-4-9)7-14(12(13)16)8-11(15)17-2/h9-10H,3-8H2,1-2H3
InChIKeyWAIISEYWIXMWIM-UHFFFAOYSA-N
XLogP0.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982611
3-methyl-1-[3-(methylamino)propyl]-4-(oxan-4-yl)imidazolidin-2-one
CID 116981500
1,3-dimethyl-4-(oxan-4-yl)imidazolidin-2-one
CID 116982982
methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
CID 116982564
4-cyclopentyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982800
4-cyclobutyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982801
methyl 3-[4-(oxan-4-yl)piperidin-1-yl]propanoate
CID 86769727
methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 116980345
methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982599
methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate
CID 116982621
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate (CID 116982587) is methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate is COC(=O)CN1CC(C2CCOCC2)N(C)C1=O.
What is the InChIKey of methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is WAIISEYWIXMWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-13-10(9-3-5-18-6-4-9)7-14(12(13)16)8-11(15)17-2/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate?
methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 256.30 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 116982587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).