2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid

C12H10N2O5 — CID 2767607

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H10N2O5/c15-9(16)7-14-11(18)10(17)13(12(14)19)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyHZESXSJIWNIMKF-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.06
Rot. Bonds4

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (PubChem CID 2767607) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
PubChem CID2767607
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C12H10N2O5/c15-9(16)7-14-11(18)10(17)13(12(14)19)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyHZESXSJIWNIMKF-UHFFFAOYSA-N
XLogP0.06
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (CID 2767607) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is O=C(O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The InChIKey is HZESXSJIWNIMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-9(16)7-14-11(18)10(17)13(12(14)19)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid has a molecular weight of 262.22 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 2767607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).