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

C13H22N2O3 — CID 116982621

IUPACmethyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1CC(C2CCC2)N(C)C1=O
InChIInChI=1S/C13H22N2O3/c1-13(2,11(16)18-4)15-8-10(9-6-5-7-9)14(3)12(15)17/h9-10H,5-8H2,1-4H3
InChIKeyMJNPOBWZCILYQK-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.47
Rot. Bonds3

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

methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate (PubChem CID 116982621) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate
PubChem CID116982621
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1CC(C2CCC2)N(C)C1=O
InChIInChI=1S/C13H22N2O3/c1-13(2,11(16)18-4)15-8-10(9-6-5-7-9)14(3)12(15)17/h9-10H,5-8H2,1-4H3
InChIKeyMJNPOBWZCILYQK-UHFFFAOYSA-N
XLogP1.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 116982096
3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid
CID 116982156
methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982611
methyl 3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,2-dimethylpropanoate
CID 79620591
1-(1-amino-2-methylpropan-2-yl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981390
2-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982651
4-cyclobutyl-3-methyl-1-[4-(methylamino)cyclohexyl]imidazolidin-2-one
CID 116981933
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82680909
methyl 2-[3-methyl-4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 116982587
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpropanoate
CID 115561491
methyl 5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-2-methylpentanoate
CID 102728042
methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
CID 116980390

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate (CID 116982621) is methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate is COC(=O)C(C)(C)N1CC(C2CCC2)N(C)C1=O.
What is the InChIKey of methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate?
The InChIKey is MJNPOBWZCILYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,11(16)18-4)15-8-10(9-6-5-7-9)14(3)12(15)17/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate?
methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate has a molecular weight of 254.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 116982621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).