[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C15H24N4O6 — CID 7793381

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C15H24N4O6/c1-6-15(5)11(22)19(13(24)18-15)7-10(21)25-8-9(20)16-12(23)17-14(2,3)4/h6-8H2,1-5H3,(H,18,24)(H2,16,17,20,23)/t15-/m0/s1
InChIKeyWYLOPDIAGKLASS-HNNXBMFYSA-N
MW356.38 g/mol
LogP-0.13
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7793381) has the molecular formula C15H24N4O6 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7793381
Molecular FormulaC15H24N4O6
Molecular Weight356.38 g/mol
Exact Mass356.17
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C15H24N4O6/c1-6-15(5)11(22)19(13(24)18-15)7-10(21)25-8-9(20)16-12(23)17-14(2,3)4/h6-8H2,1-5H3,(H,18,24)(H2,16,17,20,23)/t15-/m0/s1
InChIKeyWYLOPDIAGKLASS-HNNXBMFYSA-N
XLogP-0.13
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]propanoate
CID 390732
Ethyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 289058
Methyl (4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 3164174
Ethyl (4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetate
CID 14678127
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487028
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793431
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 8290659
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657693
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8957719
Ethyl 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetate
CID 81296328
Ethyl 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetate
CID 81297275
Ethyl 2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-2-fluoroacetate
CID 101045342

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 7793381) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is WYLOPDIAGKLASS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O6/c1-6-15(5)11(22)19(13(24)18-15)7-10(21)25-8-9(20)16-12(23)17-14(2,3)4/h6-8H2,1-5H3,(H,18,24)(H2,16,17,20,23)/t15-/m0/s1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 356.38 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7793381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).