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

C11H20N2O3 — CID 116980353

IUPACmethyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(C(C)(C)C)NC1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8-7-13(10(15)12-8)6-5-9(14)16-4/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyCWUAEXORBGELRP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.99
Rot. Bonds3

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

methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate (PubChem CID 116980353) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
PubChem CID116980353
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(C(C)(C)C)NC1=O
InChIInChI=1S/C11H20N2O3/c1-11(2,3)8-7-13(10(15)12-8)6-5-9(14)16-4/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyCWUAEXORBGELRP-UHFFFAOYSA-N
XLogP0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate (CID 116980353) is methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate is COC(=O)CCN1CC(C(C)(C)C)NC1=O.
What is the InChIKey of methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate?
The InChIKey is CWUAEXORBGELRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)8-7-13(10(15)12-8)6-5-9(14)16-4/h8H,5-7H2,1-4H3,(H,12,15).
What are the key properties of methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate?
methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 116980353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).