Basic information
- Standard SMILES
O=C(O)CNC(=O)c1ccc(OCCc2ccc3c(c2)OCO3)cc1- InChIKey
FTWWWVCDHNVUAK-UHFFFAOYSA-N- Molecular formula
- C18H17NO6
- Average molar mass
- 343.3 g/mol
- Monoisotopic mass
- 343.10558726
Names & identifiers
- Preferred name
- N-{4-[2-(1,3-Benzodioxol-5-yl)ethoxy]benzoyl}glycine
- IUPAC
- 2-[[4-[2-(1,3-benzodioxol-5-yl)ethoxy]benzoyl]amino]acetic acid
Names & synonyms
SCHEMBL834530FTWWWVCDHNVUAK-UHFFFAOYSA-NN-{4-[2-(1,3-Benzodioxol-5-yl)ethoxy]benzoyl}glycine
Database identifiers
- PubChem CID
- 66812435
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
2 records
Compound notes
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