3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid

C14H24N2O3 — CID 116982156

IUPAC3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid
SMILESCN1C(=O)N(C(C)(C)CC(=O)O)CC1C1CCCC1
InChIInChI=1S/C14H24N2O3/c1-14(2,8-12(17)18)16-9-11(15(3)13(16)19)10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyLDVJCMDINUDULA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.17
Rot. Bonds4

About 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid

3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid (PubChem CID 116982156) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid
PubChem CID116982156
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid
SMILESCN1C(=O)N(C(C)(C)CC(=O)O)CC1C1CCCC1
InChIInChI=1S/C14H24N2O3/c1-14(2,8-12(17)18)16-9-11(15(3)13(16)19)10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyLDVJCMDINUDULA-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 116982096
3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid
CID 116982152
methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate
CID 116982621
1-(1-amino-2-methylpropan-2-yl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981390
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 82747297
2-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982651
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003595
methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982611
3-(2,7-dioxoazepan-1-yl)-3-methylbutanoic acid
CID 64700178
4-cyclopentyl-3-methyl-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116981839
3-methyl-3-(3-methylazetidin-1-yl)butanoic acid
CID 79694178
1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 68718129

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid?
The IUPAC name of 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid (CID 116982156) is 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid is CN1C(=O)N(C(C)(C)CC(=O)O)CC1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid?
The InChIKey is LDVJCMDINUDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,8-12(17)18)16-9-11(15(3)13(16)19)10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid?
3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-3-methyl-2-oxoimidazolidin-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 116982156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).