Basic information
- CAS
448211-54-9- Standard SMILES
O=C(Cc1cccs1)NCB(O)O- InChIKey
VXAPSUDMBNWYNC-UHFFFAOYSA-N- Molecular formula
- C7H10BNO3S
- Average molar mass
- 199.04 g/mol
- Monoisotopic mass
- 199.0474445
Names & identifiers
- Preferred name
- N-2-Thiophen-2-Yl-Acetamide Boronic Acid
- IUPAC
- [(2-thiophen-2-ylacetyl)amino]methylboronic acid
Names & synonyms
N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDRefChem:828784448211-54-9((2-(Thiophen-2-yl)acetamido)methyl)boronic acid{[2-(thiophen-2-yl)acetamido]methyl}boronic acid8KWZ834LZMCHEMBL320049(2-Thiophen-2-ylethanoylamino)methylboronic acid[(2-thiophen-2-ylacetyl)amino]methylboronic Acid[[2-(Thiophen-2-yl)acetamido]methyl]boronic acidB-(((2-(2-Thienyl)acetyl)amino)methyl)boronic acidB-[[[2-(2-Thienyl)acetyl]amino]methyl]boronic acid
Show more names
Boronic acid, B-(((2-(2-thienyl)acetyl)amino)methyl)-Boronic acid, B-[[[2-(2-thienyl)acetyl]amino]methyl]-starbld0019223UNII-8KWZ834LZMAcylglycineboronic acid, 11LP04SCHEMBL12753869DTXSID80274383
Database identifiers
- CAS
448211-54-9- PubChem CID
- 2671
- DTXSID
DTXSID80274383- ChEMBL
CHEMBL320049- UNII
- 8KWZ834LZM
- Nikkaji
- J2.176.861H
Properties
Computed structural properties
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…