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

C11H16N2O4 — CID 6486728

IUPAC2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid
SMILESO=C(O)CC1NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H16N2O4/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,17)(H,14,15)
InChIKeyPYFPTMQCFCCZFE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.71
Rot. Bonds3

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

2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid (PubChem CID 6486728) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid
PubChem CID6486728
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid
SMILESO=C(O)CC1NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C11H16N2O4/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,17)(H,14,15)
InChIKeyPYFPTMQCFCCZFE-UHFFFAOYSA-N
XLogP0.71
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.71
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-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The IUPAC name of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid (CID 6486728) is 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid is O=C(O)CC1NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
The InChIKey is PYFPTMQCFCCZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,12,17)(H,14,15).
What are the key properties of 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid?
2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-2,5-dioxoimidazolidin-4-yl)acetic acid is sourced from PubChem (CID 6486728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).