4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C13H19N3O5 — CID 60808227

IUPAC4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)NC2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-15-7-11(18)16(13(15)21)6-10(17)14-9-4-2-8(3-5-9)12(19)20/h8-9H,2-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyIAEJLHXTHUYANE-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.36
Rot. Bonds4

About 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60808227) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60808227
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)NC2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C13H19N3O5/c1-15-7-11(18)16(13(15)21)6-10(17)14-9-4-2-8(3-5-9)12(19)20/h8-9H,2-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyIAEJLHXTHUYANE-UHFFFAOYSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 60808227) is 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is CN1CC(=O)N(CC(=O)NC2CCC(C(=O)O)CC2)C1=O.
What is the InChIKey of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is IAEJLHXTHUYANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-15-7-11(18)16(13(15)21)6-10(17)14-9-4-2-8(3-5-9)12(19)20/h8-9H,2-7H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).