3-(2,5-dioxoimidazolidin-1-yl)propanoic acid

C6H8N2O4 — CID 16783630

IUPAC3-(2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)CNC1=O
InChIInChI=1S/C6H8N2O4/c9-4-3-7-6(12)8(4)2-1-5(10)11/h1-3H2,(H,7,12)(H,10,11)
InChIKeyKUUBYKPMRRHAHV-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.99
Rot. Bonds3

About 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid

3-(2,5-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 16783630) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID16783630
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name3-(2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)CNC1=O
InChIInChI=1S/C6H8N2O4/c9-4-3-7-6(12)8(4)2-1-5(10)11/h1-3H2,(H,7,12)(H,10,11)
InChIKeyKUUBYKPMRRHAHV-UHFFFAOYSA-N
XLogP-0.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.99
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

3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
Hydantoinpropionic acid
CID 69303592
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 3154173
3-(3-Methyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 28824107
4-(2,5-Dioxo-imidazolidin-1-yl)-butyric acid
CID 2554535
Imidazolidine-2,4-dione;propanoic acid
CID 66995748
1-Carbamoyl-2-oxoimidazolidine-4-carboxylic acid
CID 69693763
2-(2,5-Dioxoimidazolidin-1-yl)propanoic acid
CID 336133
3-(2,5-Dioxoimidazolidin-1-yl)-2,2-difluoropropanoic acid
CID 130600717
2-Amino-3-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 18476630
3-(3,5,5-Trimethyl-2,4-dioxoimidazolidin-1-yl)propionic acid
CID 18976539

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid (CID 16783630) is 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid is O=C(O)CCN1C(=O)CNC1=O.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is KUUBYKPMRRHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-4-3-7-6(12)8(4)2-1-5(10)11/h1-3H2,(H,7,12)(H,10,11).
What are the key properties of 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid?
3-(2,5-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 172.14 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 16783630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).