2-[(tert-Butylamino)carbonyl]cyclohexanecarboxylic acid

• Catalog Number: ACMA00000993
• Category: Amines
• Molecular Weight: 227.30
• Molecular Formula: C₁₂H₁₉N
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C12H21NO3.

What are the synonyms of the compound?

The synonyms of the compound are 69049-86-1, 2-(tert-butylcarbamoyl)cyclohexanecarboxylic acid, 2-(tert-butylcarbamoyl)cyclohexane-1-carboxylic Acid, and SCHEMBL6812281.

What is the computed molecular weight of the compound?

The computed molecular weight of the compound is 227.30 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(tert-butylcarbamoyl)cyclohexane-1-carboxylic acid.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C12H21NO3/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16).

What is the InChIKey of the compound?

The InChIKey of the compound is MDYLQMLQBRWTPP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C)NC(=O)C1CCCCC1C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.6.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.