[(Ethylsulfonyl)amino]acetic acid

• Catalog Number: ACMA00001266
• Category: Amines
• Molecular Weight: 167.18
• Molecular Formula: C₄H₈F₃NO
• Hazard Statements: H302-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(ethylsulfonylamino)acetic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C4H9NO4S/c1-2-10(8,9)5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CCS(=O)(=O)NCC(=O)O.

What is the molecular weight of the compound?

The molecular weight of the compound is 167.19 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is -0.7.

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 5 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.