3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid

C11H18N2O5 — CID 146596831

IUPAC3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(CC(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-8(14)6-13-5-7(9(15)16)12(4)10(13)17/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyGUFGXISPRZIYCY-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.15
Rot. Bonds3

About 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid

3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 146596831) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
PubChem CID146596831
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(CC(=O)OC(C)(C)C)CC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-8(14)6-13-5-7(9(15)16)12(4)10(13)17/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyGUFGXISPRZIYCY-UHFFFAOYSA-N
XLogP0.15
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid
CID 124662011
1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 68718129
methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
CID 116982564
lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid
CID 173049616
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674
tert-butyl 2-(2-oxopiperazin-1-yl)acetate
CID 10584737
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid
CID 154464587
tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 158781811
1-O-benzyl 5-O-tert-butyl 3-(2-ethoxy-2-oxoethyl)-2-oxoimidazolidine-1,5-dicarboxylate
CID 20748905
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid (CID 146596831) is 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid is CN1C(=O)N(CC(=O)OC(C)(C)C)CC1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is GUFGXISPRZIYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,3)18-8(14)6-13-5-7(9(15)16)12(4)10(13)17/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid?
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 146596831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).