2-(2,4-dioxoimidazolidin-1-yl)propanoic acid

C6H8N2O4 — CID 18544585

IUPAC2-(2,4-dioxoimidazolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-3(5(10)11)8-2-4(9)7-6(8)12/h3H,2H2,1H3,(H,10,11)(H,7,9,12)
InChIKeyTVFISWYICXIZBP-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.99
Rot. Bonds2

About 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid

2-(2,4-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 18544585) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID18544585
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-(2,4-dioxoimidazolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-3(5(10)11)8-2-4(9)7-6(8)12/h3H,2H2,1H3,(H,10,11)(H,7,9,12)
InChIKeyTVFISWYICXIZBP-UHFFFAOYSA-N
XLogP-0.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid (CID 18544585) is 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid is CC(C(=O)O)N1CC(=O)NC1=O.
What is the InChIKey of 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is TVFISWYICXIZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-3(5(10)11)8-2-4(9)7-6(8)12/h3H,2H2,1H3,(H,10,11)(H,7,9,12).
What are the key properties of 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
2-(2,4-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 172.14 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 18544585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).