methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate

C11H20N2O3 — CID 116982564

IUPACmethyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1CC(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8-6-13(7-9(14)16-5)10(15)12(8)4/h8H,6-7H2,1-5H3
InChIKeyXOEZCENLVSWVRC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.94
Rot. Bonds2

About methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate

methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate (PubChem CID 116982564) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
PubChem CID116982564
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
SMILESCOC(=O)CN1CC(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8-6-13(7-9(14)16-5)10(15)12(8)4/h8H,6-7H2,1-5H3
InChIKeyXOEZCENLVSWVRC-UHFFFAOYSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)propanenitrile
CID 116982510
4-tert-butyl-3-methyl-1-[2-methyl-2-(methylamino)propyl]imidazolidin-2-one
CID 116982294
methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 116982587
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
CID 146596831
methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982599
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
CID 116980353
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
CID 175386535
methyl 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982594
4-tert-butyl-3-methyl-1-[2-methyl-1-(methylamino)propan-2-yl]imidazolidin-2-one
CID 116982275
methyl 2-(2,5-dioxo-4-propylpiperazin-1-yl)acetate
CID 79936130

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate (CID 116982564) is methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate is COC(=O)CN1CC(C(C)(C)C)N(C)C1=O.
What is the InChIKey of methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate?
The InChIKey is XOEZCENLVSWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)8-6-13(7-9(14)16-5)10(15)12(8)4/h8H,6-7H2,1-5H3.
What are the key properties of methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate?
methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate has a molecular weight of 228.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 116982564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).