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

C11H14N2O5 — CID 122148902

IUPAC2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H14N2O5/c14-8(15)6-12-9(16)10(17)13(11(12)18)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15)
InChIKeyLVEKSFKMUYJZLZ-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.19
Rot. Bonds3

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

2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (PubChem CID 122148902) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
PubChem CID122148902
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H14N2O5/c14-8(15)6-12-9(16)10(17)13(11(12)18)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15)
InChIKeyLVEKSFKMUYJZLZ-UHFFFAOYSA-N
XLogP0.19
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.19
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-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (CID 122148902) is 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is O=C(O)CN1C(=O)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
The InChIKey is LVEKSFKMUYJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-8(15)6-12-9(16)10(17)13(11(12)18)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15).
What are the key properties of 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid?
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid has a molecular weight of 254.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 122148902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).