2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid

C10H11N3O6 — CID 119350297

IUPAC2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)O)C1=O
InChIInChI=1S/C10H11N3O6/c1-2-3-12-8(17)9(18)13(10(12)19)5-6(14)11-4-7(15)16/h2H,1,3-5H2,(H,11,14)(H,15,16)
InChIKeyLMOMERAYEUUEHP-UHFFFAOYSA-N
MW269.21 g/mol
LogP-1.84
Rot. Bonds6

About 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid

2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid (PubChem CID 119350297) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid
PubChem CID119350297
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid
SMILESC=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)O)C1=O
InChIInChI=1S/C10H11N3O6/c1-2-3-12-8(17)9(18)13(10(12)19)5-6(14)11-4-7(15)16/h2H,1,3-5H2,(H,11,14)(H,15,16)
InChIKeyLMOMERAYEUUEHP-UHFFFAOYSA-N
XLogP-1.84
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid (CID 119350297) is 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid is C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)O)C1=O.
What is the InChIKey of 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is LMOMERAYEUUEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6/c1-2-3-12-8(17)9(18)13(10(12)19)5-6(14)11-4-7(15)16/h2H,1,3-5H2,(H,11,14)(H,15,16).
What are the key properties of 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid?
2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 269.21 g/mol, XLogP of -1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 119350297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).