(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid

CAS Registry Number®

723284-83-1

CAS Name

(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid

Molecular Formula

C10H11NO4

Molecular Mass

209.20

Cite this Page

(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=723284-83-1 (retrieved 2024-11-22) (CAS RN: 723284-83-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-234 °C

Source(s)

Other Names and Identifiers

InChI

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)/t7-/m0/s1

InChIKey

InChIKey=DJWMFJZOSZPAHI-ZETCQYMHSA-N

SMILES

[C@@H](CC(O)=O)(N)C=1C=C2C(=CC1)OCO2

Canonical SMILES

O=C(O)CC(N)C1=CC=C2OCOC2=C1

Other Names for this Substance

  • 1,3-Benzodioxole-5-propanoic acid, β-amino-, (βS)-
  • (βS)-β-Amino-1,3-benzodioxole-5-propanoic acid
  • (3S)-3-Amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid
  • (3S)-3-Amino-3-(1,3-dioxaindan-5-yl)propanoic acid
  • (S)-3-Amino-3-benzo[1,3]dioxol-5-ylpropionic acid

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