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

C12H19N3O5 — CID 43619005

IUPAC2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)CN1C(=O)CN(C)C1=O)C(=O)O
InChIInChI=1S/C12H19N3O5/c1-4-5-12(2,10(18)19)13-8(16)6-15-9(17)7-14(3)11(15)20/h4-7H2,1-3H3,(H,13,16)(H,18,19)
InChIKeyWEERUODWAKZWPJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.36
Rot. Bonds6

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

2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 43619005) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID43619005
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid
SMILESCCCC(C)(NC(=O)CN1C(=O)CN(C)C1=O)C(=O)O
InChIInChI=1S/C12H19N3O5/c1-4-5-12(2,10(18)19)13-8(16)6-15-9(17)7-14(3)11(15)20/h4-7H2,1-3H3,(H,13,16)(H,18,19)
InChIKeyWEERUODWAKZWPJ-UHFFFAOYSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 103772955
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 112778993
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-[[2-(tert-butylamino)acetyl]amino]-2-methylpentanoic acid
CID 79256791
N-(3-hydroxypropyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43419262
3-(2-hydroxy-2-methylpropyl)-1-methylimidazolidine-2,4-dione
CID 83817541
N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 62518811
3-[2-(bromomethyl)-2-propylpentyl]-1-methylimidazolidine-2,4-dione
CID 65006074
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730623
2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79792951
2-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]pentanoic acid
CID 119191860
2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 43619012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid (CID 43619005) is 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid is CCCC(C)(NC(=O)CN1C(=O)CN(C)C1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is WEERUODWAKZWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-4-5-12(2,10(18)19)13-8(16)6-15-9(17)7-14(3)11(15)20/h4-7H2,1-3H3,(H,13,16)(H,18,19).
What are the key properties of 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid?
2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 285.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43619005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).