methyl 2,2-dipropylimidazolidine-4-carboxylate

C11H22N2O2 — CID 68704933

IUPACmethyl 2,2-dipropylimidazolidine-4-carboxylate
SMILESCCCC1(CCC)NCC(C(=O)OC)N1
InChIInChI=1S/C11H22N2O2/c1-4-6-11(7-5-2)12-8-9(13-11)10(14)15-3/h9,12-13H,4-8H2,1-3H3
InChIKeySAWYBAGPOWTUJZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.02
Rot. Bonds5

About methyl 2,2-dipropylimidazolidine-4-carboxylate

methyl 2,2-dipropylimidazolidine-4-carboxylate (PubChem CID 68704933) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2,2-dipropylimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dipropylimidazolidine-4-carboxylate
PubChem CID68704933
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2,2-dipropylimidazolidine-4-carboxylate
SMILESCCCC1(CCC)NCC(C(=O)OC)N1
InChIInChI=1S/C11H22N2O2/c1-4-6-11(7-5-2)12-8-9(13-11)10(14)15-3/h9,12-13H,4-8H2,1-3H3
InChIKeySAWYBAGPOWTUJZ-UHFFFAOYSA-N
XLogP1.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dipropylimidazolidine-4-carboxylate?
The IUPAC name of methyl 2,2-dipropylimidazolidine-4-carboxylate (CID 68704933) is methyl 2,2-dipropylimidazolidine-4-carboxylate.
What is the SMILES notation for methyl 2,2-dipropylimidazolidine-4-carboxylate?
The canonical SMILES for methyl 2,2-dipropylimidazolidine-4-carboxylate is CCCC1(CCC)NCC(C(=O)OC)N1.
What is the InChIKey of methyl 2,2-dipropylimidazolidine-4-carboxylate?
The InChIKey is SAWYBAGPOWTUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-6-11(7-5-2)12-8-9(13-11)10(14)15-3/h9,12-13H,4-8H2,1-3H3.
What are the key properties of methyl 2,2-dipropylimidazolidine-4-carboxylate?
methyl 2,2-dipropylimidazolidine-4-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dipropylimidazolidine-4-carboxylate is sourced from PubChem (CID 68704933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).