2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid

C9H14N2O4 — CID 12942452

IUPAC2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid
SMILESCCCCN1C(=O)NC(CC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-2-3-4-11-8(14)6(5-7(12)13)10-9(11)15/h6H,2-5H2,1H3,(H,10,15)(H,12,13)
InChIKeyPIWMBWVEVZAZLI-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.18
Rot. Bonds5

About 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid

2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid (PubChem CID 12942452) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid
PubChem CID12942452
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid
SMILESCCCCN1C(=O)NC(CC(=O)O)C1=O
InChIInChI=1S/C9H14N2O4/c1-2-3-4-11-8(14)6(5-7(12)13)10-9(11)15/h6H,2-5H2,1H3,(H,10,15)(H,12,13)
InChIKeyPIWMBWVEVZAZLI-UHFFFAOYSA-N
XLogP0.18
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

L-5-Carboxymethylhydantoin
CID 440092
2,5-Dioxo-1,3-diazolidin-4-ylacetic acid
CID 95492
Sakacin A
CID 382302
(S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 11206225
3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
(1-Cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 6486728
3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
Methyl (2,5-dioxoimidazolidin-4-yl)acetate
CID 5296047
2-(1-Methyl-5-oxo-2-thioxoimidazolidin-4-YL)acetic acid
CID 3849003
4-Imidazolidineacetic acid, 1-(3-(dimethylamino)propyl)-5-oxo-2-thioxo-, hydrochloride, (+-)-
CID 3070477
4-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)butanoic acid
CID 4962194
[(4r)-2,5-Dioxoimidazolidin-4-Yl]acetic Acid
CID 1152519

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The IUPAC name of 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid (CID 12942452) is 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid is CCCCN1C(=O)NC(CC(=O)O)C1=O.
What is the InChIKey of 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The InChIKey is PIWMBWVEVZAZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-2-3-4-11-8(14)6(5-7(12)13)10-9(11)15/h6H,2-5H2,1H3,(H,10,15)(H,12,13).
What are the key properties of 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid has a molecular weight of 214.22 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2,5-dioxoimidazolidin-4-yl)acetic acid is sourced from PubChem (CID 12942452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).