methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate

C12H20N2O3 — CID 116982611

IUPACmethyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(C2CCC2)N(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-13-10(9-4-3-5-9)8-14(12(13)16)7-6-11(15)17-2/h9-10H,3-8H2,1-2H3
InChIKeyDPJUHGFJRCDOEM-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.09
Rot. Bonds4

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

methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate (PubChem CID 116982611) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
PubChem CID116982611
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(C2CCC2)N(C)C1=O
InChIInChI=1S/C12H20N2O3/c1-13-10(9-4-3-5-9)8-14(12(13)16)7-6-11(15)17-2/h9-10H,3-8H2,1-2H3
InChIKeyDPJUHGFJRCDOEM-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate (CID 116982611) is methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate is COC(=O)CCN1CC(C2CCC2)N(C)C1=O.
What is the InChIKey of methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate?
The InChIKey is DPJUHGFJRCDOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-10(9-4-3-5-9)8-14(12(13)16)7-6-11(15)17-2/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate?
methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate has a molecular weight of 240.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 116982611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).