2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid
Basic information
- CAS
5415-55-4- Standard SMILES
O=C(NC(Cc1ccc2c(c1)OCO2)C(=O)O)c1ccccc1- InChIKey
BRJYOLARVAXBNQ-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.09502258
Names & identifiers
- Preferred name
- 2-Benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid
- IUPAC
- 2-benzamido-3-(1,3-benzodioxol-5-yl)propanoic acid
Names & synonyms
NSC10188SCHEMBL7834954NSC-101885415-55-4SR-01000500388SR-01000500388-1
Database identifiers
- CAS
5415-55-4- PubChem CID
- 223040
- Nikkaji
- J25.449E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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