3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid

C11H17N3O5 — CID 43170651

IUPAC3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
SMILESCCC1(C)NC(=O)N(CC(=O)NCCC(=O)O)C1=O
InChIInChI=1S/C11H17N3O5/c1-3-11(2)9(18)14(10(19)13-11)6-7(15)12-5-4-8(16)17/h3-6H2,1-2H3,(H,12,15)(H,13,19)(H,16,17)
InChIKeySKXZKVAMBDAROZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.70
Rot. Bonds6

About 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid

3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43170651) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43170651
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
SMILESCCC1(C)NC(=O)N(CC(=O)NCCC(=O)O)C1=O
InChIInChI=1S/C11H17N3O5/c1-3-11(2)9(18)14(10(19)13-11)6-7(15)12-5-4-8(16)17/h3-6H2,1-2H3,(H,12,15)(H,13,19)(H,16,17)
InChIKeySKXZKVAMBDAROZ-UHFFFAOYSA-N
XLogP-0.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60636188
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
N-[2-(4-chlorophenyl)ethyl]-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916679
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 115362807
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 106289583
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107491
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385844
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518421
N-cyclopentyl-2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 60623061
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866565
N-(3,5-dimethylphenyl)-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2117004
N-[(2,4-dichlorophenyl)methyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916685

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid (CID 43170651) is 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid is CCC1(C)NC(=O)N(CC(=O)NCCC(=O)O)C1=O.
What is the InChIKey of 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is SKXZKVAMBDAROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-3-11(2)9(18)14(10(19)13-11)6-7(15)12-5-4-8(16)17/h3-6H2,1-2H3,(H,12,15)(H,13,19)(H,16,17).
What are the key properties of 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid?
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43170651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).