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

C13H19N3O5 — CID 61291273

IUPAC1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)CN2C(=O)CNC2=O)(C(=O)O)C1
InChIInChI=1S/C13H19N3O5/c1-8-3-2-4-13(5-8,11(19)20)15-9(17)7-16-10(18)6-14-12(16)21/h8H,2-7H2,1H3,(H,14,21)(H,15,17)(H,19,20)
InChIKeyTVIABEHRFUUPRP-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.31
Rot. Bonds4

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

1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61291273) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61291273
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)CN2C(=O)CNC2=O)(C(=O)O)C1
InChIInChI=1S/C13H19N3O5/c1-8-3-2-4-13(5-8,11(19)20)15-9(17)7-16-10(18)6-14-12(16)21/h8H,2-7H2,1H3,(H,14,21)(H,15,17)(H,19,20)
InChIKeyTVIABEHRFUUPRP-UHFFFAOYSA-N
XLogP-0.31
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid (CID 61291273) is 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)CN2C(=O)CNC2=O)(C(=O)O)C1.
What is the InChIKey of 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is TVIABEHRFUUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-8-3-2-4-13(5-8,11(19)20)15-9(17)7-16-10(18)6-14-12(16)21/h8H,2-7H2,1H3,(H,14,21)(H,15,17)(H,19,20).
What are the key properties of 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid?
1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61291273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).