2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate

C10H18N2O3 — CID 19770791

IUPAC2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate
SMILESCC(C)COC(=O)CCC1NCC(=O)N1
InChIInChI=1S/C10H18N2O3/c1-7(2)6-15-10(14)4-3-8-11-5-9(13)12-8/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyWNVIKKJVLZAFBY-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.01
Rot. Bonds5

About 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate

2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate (PubChem CID 19770791) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate.

Molecular Properties

Compound Name2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate
PubChem CID19770791
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate
SMILESCC(C)COC(=O)CCC1NCC(=O)N1
InChIInChI=1S/C10H18N2O3/c1-7(2)6-15-10(14)4-3-8-11-5-9(13)12-8/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyWNVIKKJVLZAFBY-UHFFFAOYSA-N
XLogP0.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 43215732
ethyl (2S)-3-methyl-2-[(2-oxopyrrolidin-1-yl)methylamino]butanoate
CID 10421862
Ethyl 2-isopropyl-5-oxo-1-imidazolidineacetate
CID 14618022
2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate
CID 57231664
Isobutyl (4S)-4-isobutyl-5-oxo-2-imidazolidinepropanoate
CID 57259664
Ethyl 3-(4-oxoimidazolidin-2-yl)propanoate
CID 66713710
Isobutyl 5-oxo-2-imidazolidinepropanoate hydrochloride
CID 67886019
2-Methylpropyl 2-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride
CID 70385167
2-Methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propylimidazolidin-1-yl]butanoate
CID 70435793
2-Methylpropyl 4-[3-(2-amino-2-oxoethyl)-2-hydroxy-4-oxo-2-propan-2-ylimidazolidin-1-yl]butanoate
CID 70435932
4-(5-Oxo-2-thioxo-imidazolidin-1-yl)-butyric acid ethyl ester
CID 86618342
2-(3-Ethoxypropyl)imidazolidin-4-one
CID 123345095

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The IUPAC name of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate (CID 19770791) is 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate.
What is the SMILES notation for 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The canonical SMILES for 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate is CC(C)COC(=O)CCC1NCC(=O)N1.
What is the InChIKey of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The InChIKey is WNVIKKJVLZAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)6-15-10(14)4-3-8-11-5-9(13)12-8/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate?
2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate has a molecular weight of 214.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(4-oxoimidazolidin-2-yl)propanoate is sourced from PubChem (CID 19770791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).