3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid

• Catalog Number: ACMA00002048
• Category: Ethers
• Molecular Weight: 209.20
• Molecular Formula: C₁₀H₁₁NOS
• 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 C10H11NO4.

What are the synonyms of the compound?

The synonyms of the compound are 129042-60-0, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid, 3-Amino-3-(1,3-benzodioxol-5-yl)propanoic acid, 72071-75-1, 3-AMINO-3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANOIC ACID.

What is the computed molecular weight of the compound?

The computed molecular weight of the compound is 209.20 g/mol.

When was the compound created and modified in PubChem?

The compound was created on July 19, 2005, and last modified on November 25, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-amino-3-(1,3-benzodioxol-5-yl)propanoic acid.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C10H11NO4/c11-7(4-10(12)13)6-1-2-8-9(3-6)15-5-14-8/h1-3,7H,4-5,11H2,(H,12,13).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)N.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is -2.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.