dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate

C11H18N2O5 — CID 139667774

IUPACdipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate
SMILESCC(C)OC(=O)N1CCN(C(=O)OC(C)C)C1=O
InChIInChI=1S/C11H18N2O5/c1-7(2)17-10(15)12-5-6-13(9(12)14)11(16)18-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOGBVKBMKYRONGM-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.81
Rot. Bonds2

About dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate

dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate (PubChem CID 139667774) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate
PubChem CID139667774
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namedipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate
SMILESCC(C)OC(=O)N1CCN(C(=O)OC(C)C)C1=O
InChIInChI=1S/C11H18N2O5/c1-7(2)17-10(15)12-5-6-13(9(12)14)11(16)18-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyOGBVKBMKYRONGM-UHFFFAOYSA-N
XLogP1.81
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate?
The IUPAC name of dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate (CID 139667774) is dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate?
The canonical SMILES for dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate is CC(C)OC(=O)N1CCN(C(=O)OC(C)C)C1=O.
What is the InChIKey of dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate?
The InChIKey is OGBVKBMKYRONGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7(2)17-10(15)12-5-6-13(9(12)14)11(16)18-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate?
dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate has a molecular weight of 258.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate is sourced from PubChem (CID 139667774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).