Chem
J-GLOBAL ID:200907051614186589   Nikkaji number:J2.640.872E

(S)-3-(1,3-Benzodioxole-5-yl)-β-alanine

(S)-β-アミノ-1,3-ベンゾジオキソール-5-プロパン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H11NO4
Molecular formula furigana: C10-H11-N-O4
Molecular weight: 209.201
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
InChI key: DJWMFJZOSZPAHI-ZETCQYMHSA-N
SMILES: N[C@@H](CC(=O)O)c1ccc2OCOc2c1
Systematic name  (4):
  • (S)-β-アミノ-1,3-ベンゾジオキソール-5-プロパン酸
  • (S)-3-(1,3-ベンゾジオキソール-5-イル)-β-アラニン
  • (3S)-3-アミノ-3-(2H-1,3-ベンゾジオキソール-5-イル)プロパン酸
  • (3S)-3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid
Other name (2):
  • (S)-β-Amino-1,3-benzodioxole-5-propanoic acid
  • (S)-3-(1,3-Benzodioxole-5-yl)-β-alanine
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