2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid

C9H13N3O6 — CID 79457797

IUPAC2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N3O6/c13-6(10-1-2-18-5-8(15)16)4-12-7(14)3-11-9(12)17/h1-5H2,(H,10,13)(H,11,17)(H,15,16)
InChIKeyPUWLZVYZEGFJKL-UHFFFAOYSA-N
MW259.22 g/mol
LogP-2.24
Rot. Bonds7

About 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid

2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid (PubChem CID 79457797) has the molecular formula C9H13N3O6 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
PubChem CID79457797
Molecular FormulaC9H13N3O6
Molecular Weight259.22 g/mol
Exact Mass259.08
IUPAC Name2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N3O6/c13-6(10-1-2-18-5-8(15)16)4-12-7(14)3-11-9(12)17/h1-5H2,(H,10,13)(H,11,17)(H,15,16)
InChIKeyPUWLZVYZEGFJKL-UHFFFAOYSA-N
XLogP-2.24
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
CID 79457584
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110686711
3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81066774
2-(2,5-dioxoimidazolidin-1-yl)-N-(2,2-diphenylethyl)acetamide
CID 86975393
1-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432907
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
N-[2-(4-tert-butylphenyl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 71941577
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79456856
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 91768811
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 72905394
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(4-fluorophenyl)sulfonylethyl]acetamide
CID 72854238

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid (CID 79457797) is 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)CN1C(=O)CNC1=O.
What is the InChIKey of 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
The InChIKey is PUWLZVYZEGFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6/c13-6(10-1-2-18-5-8(15)16)4-12-7(14)3-11-9(12)17/h1-5H2,(H,10,13)(H,11,17)(H,15,16).
What are the key properties of 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid has a molecular weight of 259.22 g/mol, XLogP of -2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79457797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).