2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid

C12H20N2O3 — CID 116982096

IUPAC2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
SMILESCN1C(=O)N(C(C)(C)C(=O)O)CC1C1CCC1
InChIInChI=1S/C12H20N2O3/c1-12(2,10(15)16)14-7-9(8-5-4-6-8)13(3)11(14)17/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyIMHCEROABZSPQS-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds3

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

2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid (PubChem CID 116982096) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
PubChem CID116982096
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
SMILESCN1C(=O)N(C(C)(C)C(=O)O)CC1C1CCC1
InChIInChI=1S/C12H20N2O3/c1-12(2,10(15)16)14-7-9(8-5-4-6-8)13(3)11(14)17/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyIMHCEROABZSPQS-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate
CID 116982621
3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid
CID 116982156
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
methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982611
2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982087
4-cyclobutyl-3-methyl-1-[4-(methylamino)cyclohexyl]imidazolidin-2-one
CID 116981933
1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 68718129
2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 84782289
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-bromo-2-methylpropan-1-one
CID 114328811
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylpropanoic acid
CID 65324915
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65320041

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid (CID 116982096) is 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid is CN1C(=O)N(C(C)(C)C(=O)O)CC1C1CCC1.
What is the InChIKey of 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid?
The InChIKey is IMHCEROABZSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,10(15)16)14-7-9(8-5-4-6-8)13(3)11(14)17/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid?
2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 116982096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).