Basic information
- CAS
121715-56-8- Standard SMILES
COc1ccc2oc(C(CN)CC(=O)O)cc2c1- InChIKey
GAGNHCLRQLUYCQ-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Overview
antagonizes baclofen in the rat spinal cord; RN from Toxlit
Names & identifiers
- Preferred name
- 4-Amino-3-(5-methoxybenzo(b)furan-2-yl)butanoic acid
- IUPAC
- 4-amino-3-(5-methoxy-1-benzofuran-2-yl)butanoic acid
- English name
- 4-amino-3-(5-methoxybenzo(b)furan-2-yl)butanoic acid
- Molecular weight
- 0
Names & synonyms
121715-56-84-Mbfg4-Amino-3-(5-methoxybenzo(b)furan-2-yl)butanoic acid4-amino-3-(5-methoxybenzo[b]furan-2-yl)butanoic acidRefChem:977224-amino-3-(5-methoxy-1-benzofuran-2-yl)butanoic acidCHEMBL1627164-Amino-3-(5-methoxy-benzofuran-2-yl)-butyric acidDTXSID20923944BDBM50021755BETA-5-METHOXYBENZOFURAN-2-YL-GABA4-amino-3-(5-methoxybenzo[b]furan-2-yl)-butanoic acid
Show more names
9Hβ-(Aminomethyl)-5-methoxy-2-benzofuranpropanoic acid
2-Benzofuranpropanoic acid, beta-(aminomethyl)-5-methoxy-
Database identifiers
- CAS
121715-56-8- PubChem CID
- 129481
- DTXSID
DTXSID20923944- ChEMBL
CHEMBL162716- Nikkaji
- J248.149I
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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